CID 54042244

8-hydroxy-5,6-octadienoic acid

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

C(CC=C=CCO)CC(=O)O

InChI

InChI=1S/C8H12O3/c9-7-5-3-1-2-4-6-8(10)11/h1,5,9H,2,4,6-7H2,(H,10,11)

InChIKey

LNDWPMYWLUFZEI-UHFFFAOYSA-N

Compound name

8-hydroxyocta-5,6-dienoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 7
Patents: 156.07864 Da
Monoisotopic Mass: -0.2
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]+	157.08592	134.7
[M+Na]+	179.06786	141.0
[M-H]-	155.07136	132.0
[M+NH4]+	174.11246	154.3
[M+K]+	195.04180	138.5
[M+H-H2O]+	139.07590	130.3
[M+HCOO]-	201.07684	155.2
[M+CH3COO]-	215.09249	170.6
[M+Na-2H]-	177.05331	138.4
[M]+	156.07809	134.3
[M]-	156.07919	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe