CID 537294

2-eicosanoylglycerol

Structural Information

Molecular Formula

C₂₃H₄₆O₄

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO

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)27-22(20-24)21-25/h22,24-25H,2-21H2,1H3

InChIKey

KECCPKLXQUOWMI-UHFFFAOYSA-N

Compound name

1,3-dihydroxypropan-2-yl icosanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 35
Patents: 386.3396 Da
Monoisotopic Mass: 8.3
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	204.8
[M+Na]+	409.32882	209.2
[M+NH4]+	404.37342	212.6
[M+K]+	425.30276	202.5
[M-H]-	385.33232	200.8
[M+Na-2H]-	407.31427	201.6
[M]+	386.33905	203.7
[M]-	386.34015	203.7

Literature stripe

literature stripe

Patent stripe

patents stripe