CID 15830669

Benzyl 3-oxocyclobutanecarboxylate

Structural Information

Molecular Formula
C12H12O3
SMILES
C1C(CC1=O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H12O3/c13-11-6-10(7-11)12(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
OPGPYIKNRCXNQY-UHFFFAOYSA-N
Compound name
benzyl 3-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

311
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 143.0
[M+Na]+ 227.06786 150.6
[M+NH4]+ 222.11246 147.0
[M+K]+ 243.04180 146.6
[M-H]- 203.07136 142.9
[M+Na-2H]- 225.05331 147.4
[M]+ 204.07809 142.7
[M]- 204.07919 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe