CID 52940167

6-hydroxy-2-cyclohexen-one-carboxylate

Structural Information

Molecular Formula
C7H8O4
SMILES
C1CC(=O)C(C=C1)(C(=O)O)O
InChI
InChI=1S/C7H8O4/c8-5-3-1-2-4-7(5,11)6(9)10/h2,4,11H,1,3H2,(H,9,10)
InChIKey
WEZWWZKUBQCMBL-UHFFFAOYSA-N
Compound name
1-hydroxy-6-oxocyclohex-2-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2
Patents

156.04225 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04953 128.7
[M+Na]+ 179.03147 136.1
[M-H]- 155.03497 129.9
[M+NH4]+ 174.07607 150.1
[M+K]+ 195.00541 134.9
[M+H-H2O]+ 139.03951 124.9
[M+HCOO]- 201.04045 148.3
[M+CH3COO]- 215.05610 168.8
[M+Na-2H]- 177.01692 134.5
[M]+ 156.04170 125.8
[M]- 156.04280 125.8
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

patents stripe