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 135.8
[M+Na]+ 191.06786 140.5
[M+NH4]+ 186.11246 139.9
[M+K]+ 207.04180 139.6
[M-H]- 167.07136 133.1
[M+Na-2H]- 189.05331 135.2
[M]+ 168.07809 134.2
[M]- 168.07919 134.2
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

No patent data available for this compound.