CID 87661

18469-44-8

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
2
Annotation Hits

0
References

1735
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 188.1
[M+Na]+ 372.21789 192.5
[M+NH4]+ 367.26249 191.7
[M+K]+ 388.19183 186.2
[M-H]- 348.22139 184.6
[M+Na-2H]- 370.20334 186.4
[M]+ 349.22812 187.7
[M]- 349.22922 187.7
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