CID 133636

Tetracosahexaenic acid

Structural Information

Molecular Formula

C₂₄H₃₆O₂

SMILES

CCCCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)O

InChI

InChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h12-23H,2-11H2,1H3,(H,25,26)

InChIKey

HPSWUFMMLKGKDS-UHFFFAOYSA-N

Compound name

tetracosa-2,4,6,8,10,12-hexaenoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 25
References: 4133
Patents: 356.27155 Da
Monoisotopic Mass: 9.1
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]+	357.27883	196.5
[M+Na]+	379.26077	198.2
[M-H]-	355.26427	192.5
[M+NH4]+	374.30537	208.8
[M+K]+	395.23471	189.5
[M+H-H2O]+	339.26881	189.6
[M+HCOO]-	401.26975	213.9
[M+CH3COO]-	415.28540	213.6
[M+Na-2H]-	377.24622	192.6
[M]+	356.27100	199.6
[M]-	356.27210	199.6

Literature stripe

literature stripe

Patent stripe

patents stripe