CID 12151258

3-oxotricyclo[2.2.1.0,2,6]heptane-1-carboxylicacid

Structural Information

Molecular Formula
C8H8O3
SMILES
C1C2CC3(C1C3C2=O)C(=O)O
InChI
InChI=1S/C8H8O3/c9-6-3-1-4-5(6)8(4,2-3)7(10)11/h3-5H,1-2H2,(H,10,11)
InChIKey
MXZJIERICGLXSK-UHFFFAOYSA-N
Compound name
3-oxotricyclo[2.2.1.02,6]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

152.04735 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 127.6
[M+Na]+ 175.03657 136.4
[M+NH4]+ 170.08117 139.1
[M+K]+ 191.01051 137.1
[M-H]- 151.04007 131.7
[M+Na-2H]- 173.02202 128.4
[M]+ 152.04680 131.0
[M]- 152.04790 131.0
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