115-69-5

2-Amino-2-methyl-1,3-propanediol(115-69-5) MS

Product Name2-Amino-2-methyl-1,3-propanediol

CAS 115-69-5

Molecular FormulaC4H11NO2

Molecular Weight105.14

InChIInChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3

InChIKey UXFQFBNBSPQBJW-UHFFFAOYSA-N

SmilesC(O)C(N)(C)CO

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2-Amino-2-methyl-1,3-propanediol(115-69-5) MS
Mass

MS-NW-4635          
2-amino-2-methyl-1,3-propanediol
C4H11NO2            (Mass of molecular ion:    105)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       4.2
      17.0       1.1
      18.0      19.6
      27.0       5.4
      28.0      22.7
      29.0      16.3
      30.0       9.0
      31.0       7.3
      39.0       2.9
      40.0       1.3
      41.0       5.9
      42.0      12.6
      43.0       2.4
      44.0       4.1
      56.0      45.0
      57.0      11.1
      58.0       1.7
      59.0       2.0
      60.0       2.0
      70.0       1.2
      72.0       1.7
      73.0       1.0
      74.0     100.0
      75.0       3.9

400 MHz in DMSO-d6

2-Amino-2-methyl-1,3-propanediol(115-69-5) MS

¹H NMR	399.65 MHz
C₄ H₁₁ N O₂	0.040 g : 0.5 ml DMSO-d₆
2-amino-2-methyl-1,3-propanediol

    Assign.     Shift(ppm)

      A     *1      3.177
      B     *1      3.158
      C             0.860

     Hz     ppm     Int.

   1288.70   3.225     27
   1287.60   3.222     28
   1278.20   3.199    134
   1267.94   3.173    595
   1263.92   3.163    553
   1253.66   3.137    110
    343.87   0.861   1000

in DMSO-d6