CID 110926

Cethexonium

Structural Information

Molecular Formula
C24H50NO
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C1CCCCC1O
InChI
InChI=1S/C24H50NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25(2,3)23-20-17-18-21-24(23)26/h23-24,26H,4-22H2,1-3H3/q+1
InChIKey
YPQVDFLBDPTGLB-UHFFFAOYSA-N
Compound name
hexadecyl-(2-hydroxycyclohexyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

155
Patents

368.38925 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.39653 200.3
[M+Na]+ 391.37847 209.0
[M+NH4]+ 386.42307 207.9
[M+K]+ 407.35241 200.6
[M-H]- 367.38197 203.6
[M+Na-2H]- 389.36392 202.6
[M]+ 368.38870 202.7
[M]- 368.38980 202.7
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