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

87
Patents

140.04735 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 126.0
[M+Na]+ 163.036568 136.8
[M-H]- 139.040074 130.6
[M+NH4]+ 158.081173 145.1
[M+K]+ 179.010508 133.5
[M+H-H2O]+ 123.044610 121.9
[M+HCOO]- 185.045551 147.1
[M+CH3COO]- 199.061201 174.8
[M+Na-2H]- 161.022016 130.3
[M]+ 140.04680142 128.2
[M]- 140.04789858 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