CID 97627953

1035897-59-6

Structural Information

Molecular Formula
C12H12O3
SMILES
COC(=O)C1(CC(=O)C1)C2=CC=CC=C2
InChI
InChI=1S/C12H12O3/c1-15-11(14)12(7-10(13)8-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
MQDXIAPHJHTTNW-UHFFFAOYSA-N
Compound name
methyl 3-oxo-1-phenylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 143.7
[M+Na]+ 227.06786 151.4
[M+NH4]+ 222.11246 149.1
[M+K]+ 243.04180 145.8
[M-H]- 203.07136 143.6
[M+Na-2H]- 225.05331 149.6
[M]+ 204.07809 143.6
[M]- 204.07919 143.6
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.