CID 135002

25378-27-2

Structural Information

Molecular Formula

C₂₀H₃₀O₂

SMILES

CCCCCCCCCC=CC=CC=CC=CC=CC(=O)O

InChI

InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h10-19H,2-9H2,1H3,(H,21,22)

InChIKey

SBHCLVQMTBWHCD-UHFFFAOYSA-N

Compound name

icosa-2,4,6,8,10-pentaenoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 79
References: 41820
Patents: 302.22458 Da
Monoisotopic Mass: 7.4
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]+	303.23186	182.5
[M+Na]+	325.21380	189.7
[M+NH4]+	320.25840	186.3
[M+K]+	341.18774	181.0
[M-H]-	301.21730	179.2
[M+Na-2H]-	323.19925	181.3
[M]+	302.22403	181.9
[M]-	302.22513	181.9

Literature stripe

literature stripe

Patent stripe

patents stripe