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: 1286
Patents: 338.2821 Da
Monoisotopic Mass: 7.3
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]+	339.28938	189.8
[M+Na]+	361.27132	193.5
[M-H]-	337.27482	192.7
[M+NH4]+	356.31592	197.9
[M+K]+	377.24526	189.8
[M+H-H2O]+	321.27936	181.4
[M+HCOO]-	383.28030	208.3
[M+CH3COO]-	397.29595	215.9
[M+Na-2H]-	359.25677	189.6
[M]+	338.28155	200.5
[M]-	338.28265	200.5

Literature stripe

literature stripe

Patent stripe

patents stripe