CID 6435878

Oleyl glycidyl ether

Structural Information

Molecular Formula

C₂₁H₄₀O₂

SMILES

CCCCCCCC/C=C\CCCCCCCCOCC1CO1

InChI

InChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-21-20-23-21/h9-10,21H,2-8,11-20H2,1H3/b10-9-

InChIKey

DDHJMUWKDMGQFH-KTKRTIGZSA-N

Compound name

2-[[(Z)-octadec-9-enoxy]methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 370
Patents: 324.30283 Da
Monoisotopic Mass: 7.7
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]+	325.31011	186.9
[M+Na]+	347.29205	190.4
[M-H]-	323.29555	189.6
[M+NH4]+	342.33665	195.6
[M+K]+	363.26599	186.6
[M+H-H2O]+	307.30009	178.4
[M+HCOO]-	369.30103	205.9
[M+CH3COO]-	383.31668	214.8
[M+Na-2H]-	345.27750	187.9
[M]+	324.30228	197.4
[M]-	324.30338	197.4

Literature stripe

literature stripe

Patent stripe

patents stripe