CID 54675763

3-hydroxy-cis,cis-muconate(2-)

Structural Information

Molecular Formula

C₆H₆O₅

SMILES

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

InChI

InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3,7H,(H,8,9)(H,10,11)/b2-1-,4-3+

InChIKey

DLKZGMNZEDNHKO-BXTBVDPRSA-N

Compound name

(2E,4Z)-3-hydroxyhexa-2,4-dienedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 158.02153 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]+	159.02881	132.5
[M+Na]+	181.01075	139.2
[M+NH4]+	176.05535	136.4
[M+K]+	196.98469	137.9
[M-H]-	157.01425	127.2
[M+Na-2H]-	178.99620	131.8
[M]+	158.02098	131.1
[M]-	158.02208	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe