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

27
Patents

154.06299 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 132.7
[M+Na]+ 177.052208 140.7
[M-H]- 153.055714 134.6
[M+NH4]+ 172.096813 160.0
[M+K]+ 193.026148 138.9
[M+H-H2O]+ 137.060250 130.0
[M+HCOO]- 199.061191 152.8
[M+CH3COO]- 213.076841 171.8
[M+Na-2H]- 175.037656 136.8
[M]+ 154.06244142 131.3
[M]- 154.06353858 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