CID 62522

Sodium n-methyl-n-palmitoyltaurate

Structural Information

Molecular Formula
C19H39NO4S
SMILES
CCCCCCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)O
InChI
InChI=1S/C19H39NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)20(2)17-18-25(22,23)24/h3-18H2,1-2H3,(H,22,23,24)
InChIKey
VGVRWTPKKMTCFK-UHFFFAOYSA-N
Compound name
2-[hexadecanoyl(methyl)amino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1483
Patents

377.25998 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.26726 196.8
[M+Na]+ 400.24920 197.8
[M-H]- 376.25270 194.7
[M+NH4]+ 395.29380 208.8
[M+K]+ 416.22314 194.5
[M+H-H2O]+ 360.25724 189.2
[M+HCOO]- 422.25818 209.8
[M+CH3COO]- 436.27383 221.2
[M+Na-2H]- 398.23465 193.3
[M]+ 377.25943 205.9
[M]- 377.26053 205.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.