CID 54675756

2-hydroxymuconate

Structural Information

Molecular Formula
C6H6O5
SMILES
C(=C\C(=O)O)\C=C(/C(=O)O)\O
InChI
InChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3,7H,(H,8,9)(H,10,11)/b3-1-,4-2+
InChIKey
JBEBGTMCZIGUTK-HSFFGMMNSA-N
Compound name
(2E,4Z)-2-hydroxyhexa-2,4-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

146
Patents

158.02153 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe