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
4
Annotation Hits

6
References

557
Patents

354.277 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.28428 194.8
[M+Na]+ 377.26622 199.8
[M+NH4]+ 372.31082 200.0
[M+K]+ 393.24016 193.4
[M-H]- 353.26972 190.4
[M+Na-2H]- 375.25167 191.9
[M]+ 354.27645 193.6
[M]- 354.27755 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe