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
2
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 220.7
[M+Na]+ 437.34756 225.1
[M-H]- 413.35106 211.6
[M+NH4]+ 432.39216 216.4
[M+K]+ 453.32150 219.7
[M+H-H2O]+ 397.35560 207.2
[M+HCOO]- 459.35654 231.9
[M+CH3COO]- 473.37219 220.1
[M+Na-2H]- 435.33301 211.2
[M]+ 414.35779 217.1
[M]- 414.35889 217.1
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.