CID 155973171

Methyl1-benzyl-3-oxocyclobutane-1-carboxylate

Structural Information

Molecular Formula
C13H14O3
SMILES
COC(=O)C1(CC(=O)C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H14O3/c1-16-12(15)13(8-11(14)9-13)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey
DYDVRACKMBIKBH-UHFFFAOYSA-N
Compound name
methyl 1-benzyl-3-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 148.1
[M+Na]+ 241.08352 155.7
[M+NH4]+ 236.12812 153.3
[M+K]+ 257.05746 149.8
[M-H]- 217.08702 148.0
[M+Na-2H]- 239.06897 153.7
[M]+ 218.09375 148.0
[M]- 218.09485 148.0
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.