CID 53480982

1-eicosenoyl-glycerol

Structural Information

Molecular Formula

C₂₃H₄₄O₄

SMILES

CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)O

InChI

InChI=1S/C23H44O4/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/h9-10,22,24-25H,2-8,11-21H2,1H3/b10-9-/t22-/m0/s1

InChIKey

HPTOSMWVVSKAGZ-DYYZXQNHSA-N

Compound name

[(2S)-2,3-dihydroxypropyl] (Z)-icos-11-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 13
Patents: 384.32397 Da
Monoisotopic Mass: 7.6
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]+	385.331246	206.5
[M+Na]+	407.313188	205.9
[M-H]-	383.316694	200.9
[M+NH4]+	402.357793	205.3
[M+K]+	423.287128	201.2
[M+H-H2O]+	367.321230	199.0
[M+HCOO]-	429.322171	215.1
[M+CH3COO]-	443.337821	219.1
[M+Na-2H]-	405.298636	201.2
[M]+	384.32342142	213.3
[M]-	384.32451858	213.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.