CID 66671089

1-(3-bromophenyl)-3-azabicyclo[3.1.0]hexane hydrochloride

Structural Information

Molecular Formula
C11H12BrN
SMILES
C1C2C1(CNC2)C3=CC(=CC=C3)Br
InChI
InChI=1S/C11H12BrN/c12-10-3-1-2-8(4-10)11-5-9(11)6-13-7-11/h1-4,9,13H,5-7H2
InChIKey
SGZGYHORYYBOLQ-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

237.0153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.022576 148.7
[M+Na]+ 260.004518 162.2
[M-H]- 236.008024 157.0
[M+NH4]+ 255.049123 168.2
[M+K]+ 275.978458 150.3
[M+H-H2O]+ 220.012560 149.3
[M+HCOO]- 282.013501 167.1
[M+CH3COO]- 296.029151 163.1
[M+Na-2H]- 257.989966 156.1
[M]+ 237.01475142 166.1
[M]- 237.01584858 166.1
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