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

5
Patents

152.04735 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.054626 130.2
[M+Na]+ 175.036568 139.0
[M-H]- 151.040074 132.5
[M+NH4]+ 170.081173 155.9
[M+K]+ 191.010508 137.2
[M+H-H2O]+ 135.044610 127.0
[M+HCOO]- 197.045551 151.7
[M+CH3COO]- 211.061201 173.0
[M+Na-2H]- 173.022016 133.4
[M]+ 152.04680142 130.2
[M]- 152.04789858 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