CID 65957766

N-(3-bromophenyl)azetidin-3-amine hydrochloride

Structural Information

Molecular Formula
C9H11BrN2
SMILES
C1C(CN1)NC2=CC(=CC=C2)Br
InChI
InChI=1S/C9H11BrN2/c10-7-2-1-3-8(4-7)12-9-5-11-6-9/h1-4,9,11-12H,5-6H2
InChIKey
TYJYXFRTBVEBDI-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.01056 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01784 133.5
[M+Na]+ 248.99978 142.0
[M-H]- 225.00328 139.6
[M+NH4]+ 244.04438 146.9
[M+K]+ 264.97372 133.4
[M+H-H2O]+ 209.00782 127.5
[M+HCOO]- 271.00876 152.4
[M+CH3COO]- 285.02441 188.9
[M+Na-2H]- 246.98523 141.9
[M]+ 226.01001 155.4
[M]- 226.01111 155.4
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.