3-Methylpiperidine(626-56-2) MS

Product Name3-Methylpiperidine

CAS 626-56-2

Molecular FormulaC6H13N

Molecular Weight99.17

InChIInChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3

InChIKey JEGMWWXJUXDNJN-UHFFFAOYSA-N

SmilesN1CCCC(C)C1

Request For Quotation

Mass

MS-NW-3266          
3-methylpiperidine
C6H13N              (Mass of molecular ion:     99)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.1
      18.0       1.7
      26.0       1.7
      27.0      11.3
      28.0      20.3
      29.0      18.4
      30.0      46.6
      38.0       2.3
      39.0      17.2
      40.0       4.1
      41.0      24.2
      42.0      32.2
      43.0      23.9
      44.0     100.0
      45.0       2.9
      50.0       1.1
      51.0       1.9
      52.0       1.3
      53.0       3.6
      54.0       3.3
      55.0      10.4
      56.0      40.9
      57.0      49.0
      58.0       4.3
      63.0       1.1
      65.0       3.6
      66.0       5.2
      67.0       3.7
      68.0       3.6
      69.0       5.1
      70.0      24.3
      71.0       9.8
      80.0       1.3
      81.0       1.9
      82.0       3.2
      83.0       1.0
      84.0      47.5
      85.0       3.0
      92.0       3.9
      93.0      12.9
      94.0       1.4
      96.0       1.0
      98.0      56.4
      99.0      56.8
     100.0       4.2
     112.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₃ N	0.05 ml : 0.5 ml CDCl₃
3-methylpiperidine

    Assign.     Shift(ppm)

      A             2.97
      B             2.500
      C             2.192
      D             1.761
      E             1.614
      F             1.50
      G             1.43
      J             1.010
      K             0.830
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   1200.81   3.005     61
   1199.34   3.001     70
   1198.00   2.998     89
   1196.78   2.995     96
   1193.97   2.988    119
   1192.63   2.985    123
   1189.82   2.978    124
   1188.72   2.975    140
   1187.38   2.972    138
   1186.04   2.968    120
   1184.57   2.965    111
   1183.11   2.961     96
   1181.88   2.958    137
   1180.54   2.954    127
   1178.59   2.950     96
   1176.51   2.944     91
   1012.33   2.534    100
   1009.40   2.526    106
   1000.37   2.504    182
    997.44   2.496    182
    988.28   2.473    100
    985.47   2.466     92
    887.33   2.221    174
    876.83   2.194    201
    875.37   2.191    187
    864.87   2.165    174
    714.23   1.788     54
    712.40   1.783     72
    710.57   1.778     80
    708.74   1.774     77
    707.03   1.770     61
    705.08   1.765     47
    703.25   1.760     45
    701.17   1.755     60
    699.46   1.751     78
    697.63   1.746     87
    695.80   1.742     82
    694.09   1.737     64
    656.25   1.643     62
    652.71   1.634     86
    649.29   1.625     64
    646.00   1.617     56
    643.07   1.610     93
    639.40   1.600    121
    635.99   1.592     84
    615.48   1.541     49
    611.69   1.531     44
    608.76   1.524     71
    604.86   1.514     80
    601.44   1.505     65
    597.78   1.496     89
    596.19   1.492     67
    593.99   1.487     82
    592.16   1.482     99
    591.19   1.480     68
    588.26   1.472     67
    587.40   1.470     69
    583.74   1.461     94
    579.96   1.452    139
    575.93   1.442    115
    575.07   1.439    106
    571.90   1.432    179
    571.17   1.430    175
    567.87   1.421    150
    564.09   1.412     77
    563.23   1.410     67
    558.72   1.399     46
    554.81   1.389     61
    422.85   1.059     59
    418.95   1.049     57
    411.62   1.030     66
    410.16   1.027     98
    407.71   1.021     69
    406.25   1.017     92
    399.05   0.999     85
    397.58   0.995     66
    395.02   0.989     83
    393.68   0.986     59
    386.35   0.967     43
    382.32   0.957     42
    334.96   0.839   1000
    328.25   0.822    962

in CDCl3