CID 53438753

Glyceryl 1-lactate 3-stearate

Structural Information

Molecular Formula

C₂₄H₄₆O₆

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C(C)O)O

InChI

InChI=1S/C24H46O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)29-19-22(26)20-30-24(28)21(2)25/h21-22,25-26H,3-20H2,1-2H3

InChIKey

CNFBVKHISCKTDB-UHFFFAOYSA-N

Compound name

[2-hydroxy-3-(2-hydroxypropanoyloxy)propyl] octadecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 430.32944 Da
Monoisotopic Mass: 7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	431.336716	215.5
[M+Na]+	453.318658	221.0
[M-H]-	429.322164	207.6
[M+NH4]+	448.363263	217.8
[M+K]+	469.292598	218.2
[M+H-H2O]+	413.326700	208.7
[M+HCOO]-	475.327641	218.0
[M+CH3COO]-	489.343291	227.5
[M+Na-2H]-	451.304106	208.5
[M]+	430.32889142	214.6
[M]-	430.32998858	214.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe