CID 103109

65059-96-3

Structural Information

Molecular Formula
C22H42NO2
SMILES
CCCCCC=CCC=CCCCCCCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C22H41NO2/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/h8-9,11-12H,4-7,10,13-21H2,1-3H3/p+1
InChIKey
DIHXSRXTECMMJY-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-octadeca-9,12-dienylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3308
Patents

352.32156 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.32884 196.3
[M+Na]+ 375.31078 197.3
[M-H]- 351.31428 194.3
[M+NH4]+ 370.35538 209.4
[M+K]+ 391.28472 187.1
[M+H-H2O]+ 335.31882 192.3
[M+HCOO]- 397.31976 226.3
[M+CH3COO]- 411.33541 214.1
[M+Na-2H]- 373.29623 197.3
[M]+ 352.32101 200.6
[M]- 352.32211 200.6
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