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

74
Patents

202.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.106656 141.3
[M+Na]+ 225.088598 146.7
[M-H]- 201.092104 147.6
[M+NH4]+ 220.133203 153.8
[M+K]+ 241.062538 147.3
[M+H-H2O]+ 185.096640 129.7
[M+HCOO]- 247.097581 162.6
[M+CH3COO]- 261.113231 188.4
[M+Na-2H]- 223.074046 145.3
[M]+ 202.09883142 149.5
[M]- 202.09992858 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