CID 16759360

(5z,8z)-eicosadienoate

Structural Information

Molecular Formula

C₂₀H₃₆O₂

SMILES

CCCCCCCCCCC/C=C\C/C=C\CCCC(=O)O

InChI

InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h12-13,15-16H,2-11,14,17-19H2,1H3,(H,21,22)/b13-12-,16-15-

InChIKey

HSHDOYQKHGCWCC-QGLGPCELSA-N

Compound name

(5Z,8Z)-icosa-5,8-dienoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 52
Patents: 308.27155 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]+	309.27883	184.5
[M+Na]+	331.26077	191.6
[M+NH4]+	326.30537	189.1
[M+K]+	347.23471	183.1
[M-H]-	307.26427	182.0
[M+Na-2H]-	329.24622	183.7
[M]+	308.27100	184.3
[M]-	308.27210	184.3

Literature stripe

literature stripe

Patent stripe

patents stripe