25234-60-0

LAUROYLCHOLINE CHLORIDE(25234-60-0) IR3

Product NameLAUROYLCHOLINE CHLORIDE

CAS 25234-60-0

Molecular FormulaC17H36ClNO2

Molecular Weight321.93

InChIInChI=1S/C17H36NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-17(19)20-16-15-18(2,3)4;/h5-16H2,1-4H3;1H/q+1;/p-1

InChIKey BBJUKVPDIPYNBS-UHFFFAOYSA-M

SmilesC(=O)(OCC[N+](C)(C)C)CCCCCCCCCCC.[Cl-]

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LAUROYLCHOLINE CHLORIDE(25234-60-0) IR3
Mass

MS-NW-9183          
(2-lauroyloxyethyl)trimethylammonium chloride
C17H36ClNO2         (Mass of molecular ion:    321)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.1
      18.0       7.3
      27.0       6.2
      28.0       2.7
      29.0      13.9
      30.0       1.2
      36.0       2.5
      39.0       3.7
      41.0      26.6
      42.0       7.3
      43.0      54.5
      44.0       2.8
      45.0       4.9
      53.0       1.3
      54.0       2.1
      55.0      31.0
      56.0      10.3
      57.0      55.2
      58.0      33.7
      59.0       4.0
      60.0      94.4
      61.0      18.8
      67.0       2.9
      68.0       3.3
      69.0      20.7
      70.0       9.0
      71.0      41.9
      72.0       6.7
      73.0     100.0
      74.0       9.7
      81.0       2.6
      82.0       4.5
      83.0      14.7
      84.0      10.6
      85.0      34.1
      86.0       2.6
      87.0      20.4
      88.0       4.1
      95.0       1.7
      96.0       4.4
      97.0      12.6
      98.0      10.1
      99.0       8.5
     101.0      16.8
     102.0       3.4
     110.0       2.2
     111.0       7.2
     112.0       4.3
     115.0      20.7
     116.0       2.6
     125.0       1.1
     129.0      41.6
     130.0       3.6
     131.0       1.2
     138.0       5.1
     139.0       1.1
     140.0       5.9
     141.0       2.8
     143.0      12.2
     144.0       1.7
     157.0      29.8
     158.0       3.2
     171.0      10.8
     172.0       1.4
     183.0       1.3
     200.0      30.5
     201.0       5.1

in CDCl3