CID 101869

Stearyl betaine

Structural Information

Molecular Formula
C22H46NO2
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C22H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,3)21-22(24)25/h4-21H2,1-3H3/p+1
InChIKey
HVYJSOSGTDINLW-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9232
Patents

356.35284 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.36012 195.9
[M+Na]+ 379.34206 203.7
[M+NH4]+ 374.38666 201.8
[M+K]+ 395.31600 196.7
[M-H]- 355.34556 196.0
[M+Na-2H]- 377.32751 196.4
[M]+ 356.35229 197.1
[M]- 356.35339 197.1
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