CID 21149404

Behenyl betaine

Structural Information

Molecular Formula
C26H54NO2
SMILES
CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C26H53NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(2,3)25-26(28)29/h4-25H2,1-3H3/p+1
InChIKey
SQXSZTQNKBBYPM-UHFFFAOYSA-O
Compound name
carboxymethyl-docosyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1264
Patents

412.41547 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.42275 213.3
[M+Na]+ 435.40469 220.3
[M+NH4]+ 430.44929 193.1
[M+K]+ 451.37863 212.3
[M-H]- 411.40819 213.2
[M+Na-2H]- 433.39014 212.8
[M]+ 412.41492 214.3
[M]- 412.41602 214.3
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