CID 92135766

Dihydroxyethyl oleyl glycinate

Structural Information

Molecular Formula
C24H48NO4
SMILES
CCCCCCCC/C=C\CCCCCCCC[N+](CCO)(CCO)CC(=O)O
InChI
InChI=1S/C24H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(19-21-26,20-22-27)23-24(28)29/h9-10,26-27H,2-8,11-23H2,1H3/p+1/b10-9-
InChIKey
DMICZDHECYMGHD-KTKRTIGZSA-O
Compound name
carboxymethyl-bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

851
Patents

414.35834 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.36562 209.1
[M+Na]+ 437.34756 214.4
[M+NH4]+ 432.39216 185.9
[M+K]+ 453.32150 183.6
[M-H]- 413.35106 175.6
[M+Na-2H]- 435.33301 206.9
[M]+ 414.35779 208.9
[M]- 414.35889 208.9
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.