CID 57478428

Benzyl 3-methylenecyclobutanecarboxylate

Structural Information

Molecular Formula
C13H14O2
SMILES
C=C1CC(C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H14O2/c1-10-7-12(8-10)13(14)15-9-11-5-3-2-4-6-11/h2-6,12H,1,7-9H2
InChIKey
QZBNTQCNDOLTNQ-UHFFFAOYSA-N
Compound name
benzyl 3-methylidenecyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

202.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10666 144.1
[M+Na]+ 225.08860 152.0
[M+NH4]+ 220.13320 148.5
[M+K]+ 241.06254 147.3
[M-H]- 201.09210 144.4
[M+Na-2H]- 223.07405 148.7
[M]+ 202.09883 144.0
[M]- 202.09993 144.0
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

patents stripe