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]+ 270.01241 141.9
[M+Na]+ 291.99435 150.9
[M-H]- 267.99785 149.3
[M+NH4]+ 287.03895 154.7
[M+K]+ 307.96829 143.9
[M+H-H2O]+ 252.00239 136.2
[M+HCOO]- 314.00333 160.4
[M+CH3COO]- 328.01898 194.8
[M+Na-2H]- 289.97980 148.5
[M]+ 269.00458 168.1
[M]- 269.00568 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