CID 5354568

Glycidyl oleate

Structural Information

Molecular Formula
C21H38O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC1CO1
InChI
InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h9-10,20H,2-8,11-19H2,1H3/b10-9-
InChIKey
VWYIWOYBERNXLX-KTKRTIGZSA-N
Compound name
oxiran-2-ylmethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1252
Patents

338.2821 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.28938 183.4
[M+Na]+ 361.27132 192.5
[M+NH4]+ 356.31592 189.1
[M+K]+ 377.24526 186.5
[M-H]- 337.27482 190.8
[M+Na-2H]- 359.25677 186.6
[M]+ 338.28155 187.6
[M]- 338.28265 187.6
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