CID 132342112

Methyl 6-oxobicyclo[3.2.0]heptane-3-carboxylate

Structural Information

Molecular Formula
C9H12O3
SMILES
COC(=O)C1CC2CC(=O)C2C1
InChI
InChI=1S/C9H12O3/c1-12-9(11)6-2-5-4-8(10)7(5)3-6/h5-7H,2-4H2,1H3
InChIKey
IUEMXUVDZUDHCF-UHFFFAOYSA-N
Compound name
methyl 6-oxobicyclo[3.2.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 130.6
[M+Na]+ 191.06786 136.9
[M-H]- 167.07136 135.2
[M+NH4]+ 186.11246 147.5
[M+K]+ 207.04180 139.1
[M+H-H2O]+ 151.07590 121.7
[M+HCOO]- 213.07684 151.0
[M+CH3COO]- 227.09249 182.1
[M+Na-2H]- 189.05331 133.6
[M]+ 168.07809 139.7
[M]- 168.07919 139.7
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

No patent data available for this compound.