CID 6437059

Unii-nt3h35fb86

Structural Information

Molecular Formula

C₂₀H₃₀O₂

SMILES

CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=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)/b11-10+,13-12+,15-14+,17-16+,19-18+

InChIKey

SBHCLVQMTBWHCD-METXMMQOSA-N

Compound name

(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60616
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]+	303.231856	180.6
[M+Na]+	325.213798	183.6
[M-H]-	301.217304	177.3
[M+NH4]+	320.258403	195.2
[M+K]+	341.187738	176.5
[M+H-H2O]+	285.221840	174.4
[M+HCOO]-	347.222781	199.1
[M+CH3COO]-	361.238431	203.0
[M+Na-2H]-	323.199246	178.8
[M]+	302.22403142	183.0
[M]-	302.22512858	183.0

Literature stripe

literature stripe

Patent stripe

patents stripe