CID 146155347

2416230-69-6

Structural Information

Molecular Formula
C8H8O3
SMILES
C1C2CC3C1C3(C2=O)C(=O)O
InChI
InChI=1S/C8H8O3/c9-6-3-1-4-5(2-3)8(4,6)7(10)11/h3-5H,1-2H2,(H,10,11)
InChIKey
OWAVCQAKOMNLNQ-UHFFFAOYSA-N
Compound name
7-oxotricyclo[2.2.1.02,6]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.04735 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 128.7
[M+Na]+ 175.03657 139.5
[M-H]- 151.04007 130.5
[M+NH4]+ 170.08117 155.0
[M+K]+ 191.01051 135.2
[M+H-H2O]+ 135.04461 127.6
[M+HCOO]- 197.04555 145.0
[M+CH3COO]- 211.06120 142.5
[M+Na-2H]- 173.02202 135.1
[M]+ 152.04680 136.9
[M]- 152.04790 136.9
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

No patent data available for this compound.