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 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

patents stripe