105-59-9

N-Methyldiethanolamine(105-59-9) MS

Product NameN-Methyldiethanolamine

CAS 105-59-9

Molecular FormulaC5H13NO2

Molecular Weight119.16

InChIInChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3

InChIKey CRVGTESFCCXCTH-UHFFFAOYSA-N

SmilesN(CCO)(CCO)C

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N-Methyldiethanolamine(105-59-9) MS
Mass

MS-NW-0745          
2,2'-(methylimino)diethanol
C5H13NO2            (Mass of molecular ion:    119)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       4.7
      18.0       3.5
      19.0       1.4
      27.0       4.8
      28.0       5.6
      29.0       2.8
      30.0       3.0
      31.0       2.4
      41.0       2.3
      42.0      15.0
      43.0       5.1
      44.0      73.7
      45.0      23.6
      56.0       4.6
      57.0       3.0
      58.0       5.5
      70.0       2.2
      71.0       1.0
      72.0       1.0
      74.0       2.9
      86.0       1.8
      88.0     100.0
      89.0       5.1
     119.0       2.5

90 MHz in CDCl3

N-Methyldiethanolamine(105-59-9) MS

¹H NMR	89.56 MHz
C₅ H₁₃ N O₂	0.04 ml : 0.5 ml CDCl₃
2,2'-(methylimino)diethanol

    Assign.     Shift(ppm)

      A             4.10
      B             3.637
      C             2.571
      D             2.299

     Hz     ppm     Int.

    367.44   4.103    384
    331.50   3.702    301
    328.19   3.665     72
    326.38   3.645    416
    325.38   3.634    224
    323.81   3.616     84
    320.81   3.583    379
    235.50   2.630    319
    232.50   2.597     72
    229.88   2.567    366
    228.25   2.549     90
    224.88   2.511    259
    208.50   2.329     21
    206.00   2.301   1000

in CDCl3