CID 67247904

Ethyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate

Structural Information

Molecular Formula
C9H12O3
SMILES
CCOC(=O)C1C2C1CC(=O)C2
InChI
InChI=1S/C9H12O3/c1-2-12-9(11)8-6-3-5(10)4-7(6)8/h6-8H,2-4H2,1H3
InChIKey
KWLBCWQUIUVLCR-UHFFFAOYSA-N
Compound name
ethyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

168.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 135.9
[M+Na]+ 191.06786 146.2
[M-H]- 167.07136 141.4
[M+NH4]+ 186.11246 154.6
[M+K]+ 207.04180 143.4
[M+H-H2O]+ 151.07590 131.1
[M+HCOO]- 213.07684 157.7
[M+CH3COO]- 227.09249 182.4
[M+Na-2H]- 189.05331 139.4
[M]+ 168.07809 140.4
[M]- 168.07919 140.4
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