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]+ 227.017836 133.5
[M+Na]+ 248.999778 142.0
[M-H]- 225.003284 139.6
[M+NH4]+ 244.044383 146.9
[M+K]+ 264.973718 133.4
[M+H-H2O]+ 209.007820 127.5
[M+HCOO]- 271.008761 152.4
[M+CH3COO]- 285.024411 188.9
[M+Na-2H]- 246.985226 141.9
[M]+ 226.01001142 155.4
[M]- 226.01110858 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.