CID 9548028

4-(2-oxocyclohexyl)-2-hydroxy-buta-2,4-dienoate

Structural Information

Molecular Formula
C10H12O4
SMILES
C1CCC(=O)/C(=C\C=C(/C(=O)O)\O)/C1
InChI
InChI=1S/C10H12O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h5-6,12H,1-4H2,(H,13,14)/b7-5-,9-6+
InChIKey
JILFPUFLBIHUDP-XCZNYUDNSA-N
Compound name
(E,4Z)-2-hydroxy-4-(2-oxocyclohexylidene)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

196.07356 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 143.7
[M+Na]+ 219.06278 151.6
[M+NH4]+ 214.10738 149.2
[M+K]+ 235.03672 148.0
[M-H]- 195.06628 142.0
[M+Na-2H]- 217.04823 145.0
[M]+ 196.07301 143.7
[M]- 196.07411 143.7
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

No patent data available for this compound.