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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 130.2
[M+Na]+ 175.03657 139.0
[M-H]- 151.04007 132.5
[M+NH4]+ 170.08117 155.9
[M+K]+ 191.01051 137.2
[M+H-H2O]+ 135.04461 127.0
[M+HCOO]- 197.04555 151.7
[M+CH3COO]- 211.06120 173.0
[M+Na-2H]- 173.02202 133.4
[M]+ 152.04680 130.2
[M]- 152.04790 130.2
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

patents stripe