CID 12301617

2-oxobicyclo[2.2.1]heptane-7-carboxylic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
C1CC2C(C1CC2=O)C(=O)O
InChI
InChI=1S/C8H10O3/c9-6-3-4-1-2-5(6)7(4)8(10)11/h4-5,7H,1-3H2,(H,10,11)
InChIKey
TUPCIGSDBIBQQS-UHFFFAOYSA-N
Compound name
2-oxobicyclo[2.2.1]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

154.06299 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 132.1
[M+Na]+ 177.052208 140.0
[M-H]- 153.055714 134.0
[M+NH4]+ 172.096813 157.7
[M+K]+ 193.026148 138.3
[M+H-H2O]+ 137.060250 129.0
[M+HCOO]- 199.061191 152.2
[M+CH3COO]- 213.076841 173.4
[M+Na-2H]- 175.037656 134.4
[M]+ 154.06244142 130.7
[M]- 154.06353858 130.7
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