CID 6436062

Diethylene glycol monooleate

Structural Information

Molecular Formula

C₂₂H₄₂O₄

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCCOCCO

InChI

InChI=1S/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23/h9-10,23H,2-8,11-21H2,1H3/b10-9-

InChIKey

PHDVPEOLXYBNJY-KTKRTIGZSA-N

Compound name

2-(2-hydroxyethoxy)ethyl (Z)-octadec-9-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 3962
Patents: 370.30832 Da
Monoisotopic Mass: 6.8
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]+	371.315596	201.0
[M+Na]+	393.297538	201.5
[M-H]-	369.301044	196.9
[M+NH4]+	388.342143	212.7
[M+K]+	409.271478	197.4
[M+H-H2O]+	353.305580	193.4
[M+HCOO]-	415.306521	218.4
[M+CH3COO]-	429.322171	217.9
[M+Na-2H]-	391.282986	198.0
[M]+	370.30777142	210.1
[M]-	370.30886858	210.1

Literature stripe

literature stripe

Patent stripe

patents stripe