CID 10219473

2-oxobicyclo[3.1.0]hexane-6-carboxylic acid

Structural Information

Molecular Formula
C7H8O3
SMILES
C1CC(=O)C2C1C2C(=O)O
InChI
InChI=1S/C7H8O3/c8-4-2-1-3-5(4)6(3)7(9)10/h3,5-6H,1-2H2,(H,9,10)
InChIKey
JUIOQBDYJXJVSZ-UHFFFAOYSA-N
Compound name
2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

140.04735 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 126.0
[M+Na]+ 163.03657 136.8
[M-H]- 139.04007 130.6
[M+NH4]+ 158.08117 145.1
[M+K]+ 179.01051 133.5
[M+H-H2O]+ 123.04461 121.9
[M+HCOO]- 185.04555 147.1
[M+CH3COO]- 199.06120 174.8
[M+Na-2H]- 161.02202 130.3
[M]+ 140.04680 128.2
[M]- 140.04790 128.2
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