CID 5281908

(2z,4z)-2-hydroxyhexa-2,4-dienoic acid

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

C/C=C\C=C(\C(=O)O)/O

InChI

InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/b3-2-,5-4-

InChIKey

VPGPQVKJUYKKNN-LDIADDGTSA-N

Compound name

(2Z,4Z)-2-hydroxyhexa-2,4-dienoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 3
Patents: 128.04735 Da
Monoisotopic Mass: 1.1
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]+	129.054626	125.7
[M+Na]+	151.036568	132.7
[M-H]-	127.040074	123.4
[M+NH4]+	146.081173	146.4
[M+K]+	167.010508	131.1
[M+H-H2O]+	111.044610	121.8
[M+HCOO]-	173.045551	145.9
[M+CH3COO]-	187.061201	165.4
[M+Na-2H]-	149.022016	129.3
[M]+	128.04680142	123.9
[M]-	128.04789858	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe