CID 6437995

Diglycerol, 2-oleyl ether

Structural Information

Molecular Formula

C₂₄H₄₈O₅

SMILES

CCCCCCCC/C=C/CCCCCCCCOC(CO)COCC(CO)O

InChI

InChI=1S/C24H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-24(20-26)22-28-21-23(27)19-25/h9-10,23-27H,2-8,11-22H2,1H3/b10-9+

InChIKey

LPMWAAKSDNAAFA-MDZDMXLPSA-N

Compound name

3-[3-hydroxy-2-[(E)-octadec-9-enoxy]propoxy]propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 20
Patents: 416.3502 Da
Monoisotopic Mass: 5.9
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]+	417.357476	214.3
[M+Na]+	439.339418	212.2
[M-H]-	415.342924	203.0
[M+NH4]+	434.384023	211.5
[M+K]+	455.313358	207.7
[M+H-H2O]+	399.347460	206.3
[M+HCOO]-	461.348401	220.3
[M+CH3COO]-	475.364051	222.9
[M+Na-2H]-	437.324866	208.0
[M]+	416.34965142	221.7
[M]-	416.35074858	221.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe