CID 87661

Sodium methyl myristoyl taurate

Structural Information

Molecular Formula
C17H35NO4S
SMILES
CCCCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)O
InChI
InChI=1S/C17H35NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)18(2)15-16-23(20,21)22/h3-16H2,1-2H3,(H,20,21,22)
InChIKey
FAZHDESNRICLLX-UHFFFAOYSA-N
Compound name
2-[methyl(tetradecanoyl)amino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1944
Patents

349.22867 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.23595 188.2
[M+Na]+ 372.21789 190.1
[M-H]- 348.22139 186.5
[M+NH4]+ 367.26249 201.3
[M+K]+ 388.19183 187.2
[M+H-H2O]+ 332.22593 181.0
[M+HCOO]- 394.22687 201.8
[M+CH3COO]- 408.24252 215.4
[M+Na-2H]- 370.20334 185.7
[M]+ 349.22812 196.5
[M]- 349.22922 196.5
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

patents stripe