CID 170915242

Methyl 2-cyclopropyl-3-oxocyclobutane-1-carboxylate

Structural Information

Molecular Formula
C9H12O3
SMILES
COC(=O)C1CC(=O)C1C2CC2
InChI
InChI=1S/C9H12O3/c1-12-9(11)6-4-7(10)8(6)5-2-3-5/h5-6,8H,2-4H2,1H3
InChIKey
DWVBXPWIQWLNJE-UHFFFAOYSA-N
Compound name
methyl 2-cyclopropyl-3-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 131.2
[M+Na]+ 191.067858 139.4
[M-H]- 167.071364 139.0
[M+NH4]+ 186.112463 141.1
[M+K]+ 207.041798 140.6
[M+H-H2O]+ 151.075900 120.8
[M+HCOO]- 213.076841 152.7
[M+CH3COO]- 227.092491 186.0
[M+Na-2H]- 189.053306 134.8
[M]+ 168.07809142 143.0
[M]- 168.07918858 143.0
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.