CID 158924

Dtxsid3074739

Structural Information

Molecular Formula

C₂₀H₃₆O₂

SMILES

CCCCC=CCCCCCCCCCC=CCOC(=O)C

InChI

InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7,17-18H,3-5,8-16,19H2,1-2H3

InChIKey

NWRSOYAGXTXEMK-UHFFFAOYSA-N

Compound name

octadeca-2,13-dienyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3040
Patents: 308.27155 Da
Monoisotopic Mass: 7.5
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]+	309.27883	184.1
[M+Na]+	331.26077	191.8
[M+NH4]+	326.30537	189.1
[M+K]+	347.23471	183.0
[M-H]-	307.26427	182.2
[M+Na-2H]-	329.24622	184.0
[M]+	308.27100	184.3
[M]-	308.27210	184.3

Literature stripe

literature stripe

Patent stripe

patents stripe