CID 57478428

939768-58-8

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 141.3
[M+Na]+ 225.08860 146.7
[M-H]- 201.09210 147.6
[M+NH4]+ 220.13320 153.8
[M+K]+ 241.06254 147.3
[M+H-H2O]+ 185.09664 129.7
[M+HCOO]- 247.09758 162.6
[M+CH3COO]- 261.11323 188.4
[M+Na-2H]- 223.07405 145.3
[M]+ 202.09883 149.5
[M]- 202.09993 149.5
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