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
2
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]+ 197.080836 142.0
[M+Na]+ 219.062778 146.7
[M-H]- 195.066284 142.1
[M+NH4]+ 214.107383 159.5
[M+K]+ 235.036718 144.0
[M+H-H2O]+ 179.070820 137.0
[M+HCOO]- 241.071761 158.6
[M+CH3COO]- 255.087411 176.7
[M+Na-2H]- 217.048226 142.7
[M]+ 196.07301142 136.2
[M]- 196.07410858 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.