CID 168447093

(z)-2-(docos-13-en-1-yldimethylammonio)acetate

Structural Information

Molecular Formula
C26H52NO2
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C26H51NO2/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/h11-12H,4-10,13-25H2,1-3H3/p+1/b12-11-
InChIKey
YGUOYIZNEGOWCA-QXMHVHEDSA-O
Compound name
carboxymethyl-[(Z)-docos-13-enyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

410.3998 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.40708 215.7
[M+Na]+ 433.38902 234.7
[M-H]- 409.39252 217.2
[M+NH4]+ 428.43362 226.3
[M+K]+ 449.36296 204.0
[M+H-H2O]+ 393.39706 210.7
[M+HCOO]- 455.39800 241.2
[M+CH3COO]- 469.41365 227.6
[M+Na-2H]- 431.37447 214.5
[M]+ 410.39925 226.9
[M]- 410.40035 226.9
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

No patent data available for this compound.