CID 53480981

1-eicosanoyl-rac-glycerol

Structural Information

Molecular Formula

C₂₃H₄₆O₄

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O

InChI

InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h22,24-25H,2-21H2,1H3/t22-/m0/s1

InChIKey

UMEKPPOFCOUEDT-QFIPXVFZSA-N

Compound name

[(2S)-2,3-dihydroxypropyl] icosanoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 11
References: 744
Patents: 386.3396 Da
Monoisotopic Mass: 8.5
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]+	387.34688	207.9
[M+Na]+	409.32882	206.9
[M-H]-	385.33232	202.2
[M+NH4]+	404.37342	207.5
[M+K]+	425.30276	202.9
[M+H-H2O]+	369.33686	200.3
[M+HCOO]-	431.33780	216.7
[M+CH3COO]-	445.35345	220.5
[M+Na-2H]-	407.31427	202.5
[M]+	386.33905	215.5
[M]-	386.34015	215.5

Literature stripe

literature stripe

Patent stripe

patents stripe