CID 16205241

Glyceryl 1-lactate 3-oleate

Structural Information

Molecular Formula

C₂₄H₄₄O₆

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)C(C)O)O

InChI

InChI=1S/C24H44O6/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/h10-11,21-22,25-26H,3-9,12-20H2,1-2H3/b11-10-

InChIKey

BWZLMHVNONMDSZ-KHPPLWFESA-N

Compound name

[2-hydroxy-3-(2-hydroxypropanoyloxy)propyl] (Z)-octadec-9-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 428.31378 Da
Monoisotopic Mass: 6.6
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]+	429.321056	213.2
[M+Na]+	451.302998	219.3
[M-H]-	427.306504	206.1
[M+NH4]+	446.347603	215.8
[M+K]+	467.276938	216.0
[M+H-H2O]+	411.311040	207.3
[M+HCOO]-	473.311981	216.6
[M+CH3COO]-	487.327631	226.1
[M+Na-2H]-	449.288446	207.1
[M]+	428.31323142	212.1
[M]-	428.31432858	212.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe