CID 91825649

Cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate

Structural Information

Molecular Formula
C7H8O5
SMILES
C/C(=C/O)/C(=C/C(=O)C(=O)O)/O
InChI
InChI=1S/C7H8O5/c1-4(3-8)5(9)2-6(10)7(11)12/h2-3,8-9H,1H3,(H,11,12)/b4-3-,5-2-
InChIKey
ZHVWYRGNSOILED-DSLBBWRCSA-N
Compound name
(3Z,5Z)-4,6-dihydroxy-5-methyl-2-oxohexa-3,5-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

172.03717 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04445 136.7
[M+Na]+ 195.02639 142.9
[M+NH4]+ 190.07099 140.3
[M+K]+ 211.00033 142.2
[M-H]- 171.02989 131.1
[M+Na-2H]- 193.01184 135.4
[M]+ 172.03662 135.2
[M]- 172.03772 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.