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
3
Annotation Hits

0
References

9245
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 199.2
[M+Na]+ 379.34206 199.4
[M-H]- 355.34556 197.0
[M+NH4]+ 374.38666 213.9
[M+K]+ 395.31600 190.4
[M+H-H2O]+ 339.35010 194.9
[M+HCOO]- 401.35104 229.8
[M+CH3COO]- 415.36669 217.5
[M+Na-2H]- 377.32751 200.0
[M]+ 356.35229 205.0
[M]- 356.35339 205.0
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