CID 91820579

4-hydroxy-2-keto-5-methyl-6-oxo-3-hexenoic acid

Structural Information

Molecular Formula
C7H8O5
SMILES
CC(C=O)C(=O)/C=C(/C(=O)O)\O
InChI
InChI=1S/C7H8O5/c1-4(3-8)5(9)2-6(10)7(11)12/h2-4,10H,1H3,(H,11,12)/b6-2-
InChIKey
CTJVIMRPHWLBSU-KXFIGUGUSA-N
Compound name
(Z)-2-hydroxy-5-methyl-4,6-dioxohex-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

172.03717 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04445 135.9
[M+Na]+ 195.02639 142.6
[M+NH4]+ 190.07099 139.9
[M+K]+ 211.00033 141.6
[M-H]- 171.02989 130.8
[M+Na-2H]- 193.01184 135.2
[M]+ 172.03662 134.6
[M]- 172.03772 134.6
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.