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]+ 169.085916 130.6
[M+Na]+ 191.067858 136.9
[M-H]- 167.071364 135.2
[M+NH4]+ 186.112463 147.5
[M+K]+ 207.041798 139.1
[M+H-H2O]+ 151.075900 121.7
[M+HCOO]- 213.076841 151.0
[M+CH3COO]- 227.092491 182.1
[M+Na-2H]- 189.053306 133.6
[M]+ 168.07809142 139.7
[M]- 168.07918858 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.