3-(Dimethyloctadecylazaniumyl)propane-1-sulfonate(13177-41-8) IR2
Molecular FormulaC23H49NO3S
Molecular Weight419.71
InChIInChI=1S/C23H49NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27/h4-23H2,1-3H3
InChIKey DIROHOMJLWMERM-UHFFFAOYSA-N
SmilesC(CCCCCCCCCCCCCCCCC)[N+](C)(C)CCCS([O-])(=O)=O
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![](https://www.chemicalbook.com/Spectrum/13177-41-8_MS_1.jpg)
Mass
MS-IW-7689
3-(dimethyl(octadecyl)ammonio)propanesulfonate
C23H49NO3S (Mass of molecular ion: 419)
Source Temperature: 180 °C
Sample Temperature: 200 °C
Direct, 75 eV
18.0 3.2
27.0 1.4
28.0 7.1
29.0 3.2
30.0 1.8
41.0 4.9
42.0 2.4
43.0 6.5
44.0 2.8
45.0 2.4
46.0 1.8
55.0 4.5
56.0 1.6
57.0 5.8
58.0 100.0
59.0 5.5
64.0 1.1
69.0 2.4
70.0 1.3
71.0 2.3
83.0 1.7
84.0 6.7
85.0 1.3
97.0 1.3
110.0 1.3
296.0 3.7
297.0 4.8
298.0 1.0