Isonipecotic acid(498-94-2) IR2

Product NameIsonipecotic acid

CAS 498-94-2

Molecular FormulaC6H11NO2

Molecular Weight129.16

InChIInChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)

InChIKey SRJOCJYGOFTFLH-UHFFFAOYSA-N

SmilesN1CCC(C(O)=O)CC1

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Mass

MS-NW-1620          
4-piperidinecarboxylic acid
C6H11NO2            (Mass of molecular ion:    129)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       2.5
      17.0       1.1
      18.0       5.2
      26.0       2.3
      27.0      14.2
      28.0      22.3
      29.0      22.2
      30.0      30.8
      39.0       9.2
      40.0       1.5
      41.0       7.3
      42.0      24.3
      43.0      23.1
      44.0      13.2
      45.0       3.2
      50.0       1.1
      51.0       1.8
      52.0       1.7
      53.0       5.4
      54.0       4.5
      55.0      33.7
      56.0     100.0
      57.0      84.5
      58.0       3.2
      67.0       3.1
      68.0       3.5
      69.0       2.7
      70.0       1.8
      71.0       1.2
      73.0       4.0
      74.0       1.2
      80.0       2.8
      81.0       1.4
      82.0      24.0
      83.0       8.8
      84.0      35.7
      85.0       2.8
      86.0       1.1
     100.0       6.3
     101.0       5.4
     111.0       1.7
     112.0       1.2
     114.0       1.0
     128.0      16.0
     129.0      31.3
     130.0       2.3