CID 16244497

Benzyl 3-bromoazetidine-1-carboxylate

Structural Information

Molecular Formula
C11H12BrNO2
SMILES
C1C(CN1C(=O)OCC2=CC=CC=C2)Br
InChI
InChI=1S/C11H12BrNO2/c12-10-6-13(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
SUBBMOROFINEHA-UHFFFAOYSA-N
Compound name
benzyl 3-bromoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.00513 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.012406 141.9
[M+Na]+ 291.994348 150.9
[M-H]- 267.997854 149.3
[M+NH4]+ 287.038953 154.7
[M+K]+ 307.968288 143.9
[M+H-H2O]+ 252.002390 136.2
[M+HCOO]- 314.003331 160.4
[M+CH3COO]- 328.018981 194.8
[M+Na-2H]- 289.979796 148.5
[M]+ 269.00458142 168.1
[M]- 269.00567858 168.1
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