CID 14492370

3-hydroxy-5-oxocyclohex-3-enecarboxylic acid

Structural Information

Molecular Formula
C7H8O4
SMILES
C1C(CC(=O)C=C1O)C(=O)O
InChI
InChI=1S/C7H8O4/c8-5-1-4(7(10)11)2-6(9)3-5/h3-4,8H,1-2H2,(H,10,11)
InChIKey
HFWUMOXUFYJSOZ-UHFFFAOYSA-N
Compound name
3-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

70
Patents

156.04225 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04953 129.7
[M+Na]+ 179.03147 139.7
[M+NH4]+ 174.07607 136.5
[M+K]+ 195.00541 136.3
[M-H]- 155.03497 129.1
[M+Na-2H]- 177.01692 133.1
[M]+ 156.04170 130.5
[M]- 156.04280 130.5
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

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