CID 84706

14933-09-6

Structural Information

Molecular Formula
C19H42NO3S
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O
InChI
InChI=1S/C19H41NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(2,3)18-16-19-24(21,22)23/h4-19H2,1-3H3/p+1
InChIKey
BHATUINFZWUDIX-UHFFFAOYSA-O
Compound name
dimethyl-(3-sulfopropyl)-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

5210
Patents

364.28854 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.29582 191.2
[M+Na]+ 387.27776 193.0
[M-H]- 363.28126 189.7
[M+NH4]+ 382.32236 208.6
[M+K]+ 403.25170 183.5
[M+H-H2O]+ 347.28580 187.2
[M+HCOO]- 409.28674 228.0
[M+CH3COO]- 423.30239 212.8
[M+Na-2H]- 385.26321 193.6
[M]+ 364.28799 198.3
[M]- 364.28909 198.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe