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

33
Patents

154.06299 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 132.1
[M+Na]+ 177.05221 140.0
[M-H]- 153.05571 134.0
[M+NH4]+ 172.09681 157.7
[M+K]+ 193.02615 138.3
[M+H-H2O]+ 137.06025 129.0
[M+HCOO]- 199.06119 152.2
[M+CH3COO]- 213.07684 173.4
[M+Na-2H]- 175.03766 134.4
[M]+ 154.06244 130.7
[M]- 154.06354 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