CID 14492370

56066-20-7

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
4
Annotation Hits

0
References

69
Patents

156.04225 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.049526 128.0
[M+Na]+ 179.031468 135.4
[M-H]- 155.034974 129.2
[M+NH4]+ 174.076073 147.7
[M+K]+ 195.005408 134.0
[M+H-H2O]+ 139.039510 123.5
[M+HCOO]- 201.040451 147.6
[M+CH3COO]- 215.056101 170.5
[M+Na-2H]- 177.016916 131.9
[M]+ 156.04170142 125.2
[M]- 156.04279858 125.2
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