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 142.0
[M+Na]+ 219.06278 146.7
[M-H]- 195.06628 142.1
[M+NH4]+ 214.10738 159.5
[M+K]+ 235.03672 144.0
[M+H-H2O]+ 179.07082 137.0
[M+HCOO]- 241.07176 158.6
[M+CH3COO]- 255.08741 176.7
[M+Na-2H]- 217.04823 142.7
[M]+ 196.07301 136.2
[M]- 196.07411 136.2
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.