CID 5365676

2-linoleoylglycerol

Structural Information

Molecular Formula

C₂₁H₃₈O₄

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO

InChI

InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-

InChIKey

IEPGNWMPIFDNSD-HZJYTTRNSA-N

Compound name

1,3-dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 6
References: 739
Patents: 354.277 Da
Monoisotopic Mass: 5.6
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]+	355.28428	196.4
[M+Na]+	377.26622	197.0
[M-H]-	353.26972	191.2
[M+NH4]+	372.31082	207.9
[M+K]+	393.24016	192.2
[M+H-H2O]+	337.27426	189.4
[M+HCOO]-	399.27520	211.8
[M+CH3COO]-	413.29085	211.8
[M+Na-2H]-	375.25167	192.1
[M]+	354.27645	201.7
[M]-	354.27755	201.7

Literature stripe

literature stripe

Patent stripe

patents stripe