CID 14745582

125091-66-9

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

C1C2C=CC(C1C(=O)O)C2=O

InChI

InChI=1S/C8H8O3/c9-7-4-1-2-5(7)6(3-4)8(10)11/h1-2,4-6H,3H2,(H,10,11)

InChIKey

PDOOJMWVHLSMOZ-UHFFFAOYSA-N

Compound name

7-oxobicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 152.04735 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.05463	129.8
[M+Na]+	175.03657	138.4
[M+NH4]+	170.08117	138.1
[M+K]+	191.01051	137.8
[M-H]-	151.04007	128.6
[M+Na-2H]-	173.02202	130.6
[M]+	152.04680	130.3
[M]-	152.04790	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe