CID 11559147

Propylene glycol linoleate

Structural Information

Molecular Formula
C21H38O3
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(C)CO
InChI
InChI=1S/C21H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20(2)19-22/h7-8,10-11,20,22H,3-6,9,12-19H2,1-2H3/b8-7-,11-10-
InChIKey
MOONUGLBFSSRAZ-NQLNTKRDSA-N
Compound name
1-hydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

338.2821 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.28938 193.5
[M+Na]+ 361.27132 194.7
[M-H]- 337.27482 189.9
[M+NH4]+ 356.31592 206.5
[M+K]+ 377.24526 190.2
[M+H-H2O]+ 321.27936 186.6
[M+HCOO]- 383.28030 210.2
[M+CH3COO]- 397.29595 212.4
[M+Na-2H]- 359.25677 189.7
[M]+ 338.28155 199.3
[M]- 338.28265 199.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe