CID 166606980

Benzyl bicyclo[1.1.0]butane-1-carboxylate

Structural Information

Molecular Formula
C12H12O2
SMILES
C1C2C1(C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C12H12O2/c13-11(12-6-10(12)7-12)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
QPBYJUAGPRPLQB-UHFFFAOYSA-N
Compound name
benzyl bicyclo[1.1.0]butane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.08372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 128.8
[M+Na]+ 211.07294 142.6
[M+NH4]+ 206.11754 139.3
[M+K]+ 227.04688 138.9
[M-H]- 187.07644 144.0
[M+Na-2H]- 209.05839 142.0
[M]+ 188.08317 137.3
[M]- 188.08427 137.3
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.