CID 382538

2-oxobicyclo[2.2.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
C1CC2(CC1CC2=O)C(=O)O
InChI
InChI=1S/C8H10O3/c9-6-3-5-1-2-8(6,4-5)7(10)11/h5H,1-4H2,(H,10,11)
InChIKey
ZKMOOBXRINLMKZ-UHFFFAOYSA-N
Compound name
2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

154.06299 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 132.7
[M+Na]+ 177.05221 140.7
[M-H]- 153.05571 134.6
[M+NH4]+ 172.09681 160.0
[M+K]+ 193.02615 138.9
[M+H-H2O]+ 137.06025 130.0
[M+HCOO]- 199.06119 152.8
[M+CH3COO]- 213.07684 171.8
[M+Na-2H]- 175.03766 136.8
[M]+ 154.06244 131.3
[M]- 154.06354 131.3
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