CID 101886

Dtxsid6061230

Structural Information

Molecular Formula
C22H44NO2
SMILES
CCCCCCCCC=CCCCCCCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C22H43NO2/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/h11-12H,4-10,13-21H2,1-3H3/p+1
InChIKey
AMRBZKOCOOPYNY-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-octadec-9-enylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5978
Patents

354.33722 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.34450 197.7
[M+Na]+ 377.32644 198.4
[M-H]- 353.32994 195.7
[M+NH4]+ 372.37104 211.6
[M+K]+ 393.30038 188.8
[M+H-H2O]+ 337.33448 193.6
[M+HCOO]- 399.33542 228.0
[M+CH3COO]- 413.35107 215.8
[M+Na-2H]- 375.31189 198.7
[M]+ 354.33667 202.8
[M]- 354.33777 202.8
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