CID 6912885

Oleamidopropyl betaine

Structural Information

Molecular Formula
C25H49N2O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C25H48N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(28)26-21-19-22-27(2,3)23-25(29)30/h11-12H,4-10,13-23H2,1-3H3,(H-,26,28,29,30)/p+1/b12-11-
InChIKey
ZKWJQNCOTNUNMF-QXMHVHEDSA-O
Compound name
carboxymethyl-dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3412
Patents

425.37433 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.38161 231.3
[M+Na]+ 448.36355 240.0
[M-H]- 424.36705 226.5
[M+NH4]+ 443.40815 231.7
[M+K]+ 464.33749 234.1
[M+H-H2O]+ 408.37159 224.3
[M+HCOO]- 470.37253 241.8
[M+CH3COO]- 484.38818 230.3
[M+Na-2H]- 446.34900 219.1
[M]+ 425.37378 227.6
[M]- 425.37488 227.6
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

No patent data available for this compound.