CID 536981

Dtxsid00945048

Structural Information

Molecular Formula

C₃₂H₆₂O₂

SMILES

CCCCCCCCCCCCCC(=O)OCCCCCCCCC=CCCCCCCCC

InChI

InChI=1S/C32H62O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-14-12-10-8-6-4-2/h16-17H,3-15,18-31H2,1-2H3

InChIKey

WMOBLRURFXZUMY-UHFFFAOYSA-N

Compound name

octadec-9-enyl tetradecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4739
Patents: 478.47498 Da
Monoisotopic Mass: 14.3
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]+	479.48226	236.3
[M+Na]+	501.46420	239.1
[M+NH4]+	496.50880	235.8
[M+K]+	517.43814	237.2
[M-H]-	477.46770	219.9
[M+Na-2H]-	499.44965	233.2
[M]+	478.47443	232.5
[M]-	478.47553	232.5

Literature stripe

literature stripe

Patent stripe

patents stripe