CID 58975143

N-(4-fluorophenyl)azetidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₁FN₂

SMILES

C1C(CN1)NC2=CC=C(C=C2)F

InChI

InChI=1S/C9H11FN2/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9,11-12H,5-6H2

InChIKey

BJUIFRGOYCPWPT-UHFFFAOYSA-N

Compound name

N-(4-fluorophenyl)azetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 166.09062 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	167.09790	135.3
[M+Na]+	189.07984	142.2
[M+NH4]+	184.12444	139.6
[M+K]+	205.05378	137.6
[M-H]-	165.08334	134.8
[M+Na-2H]-	187.06529	140.1
[M]+	166.09007	134.7
[M]-	166.09117	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe