CID 24274285

1-(4-fluorophenyl)cyclobutanamine

Structural Information

Molecular Formula

C₁₀H₁₂FN

SMILES

C1CC(C1)(C2=CC=C(C=C2)F)N

InChI

InChI=1S/C10H12FN/c11-9-4-2-8(3-5-9)10(12)6-1-7-10/h2-5H,1,6-7,12H2

InChIKey

PAPAYUQUJVLXAF-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 165.09538 Da
Monoisotopic Mass: 1.6
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]+	166.102656	133.7
[M+Na]+	188.084598	140.4
[M-H]-	164.088104	138.9
[M+NH4]+	183.129203	149.3
[M+K]+	204.058538	140.5
[M+H-H2O]+	148.092640	122.4
[M+HCOO]-	210.093581	155.6
[M+CH3COO]-	224.109231	183.4
[M+Na-2H]-	186.070046	139.9
[M]+	165.09483142	137.7
[M]-	165.09592858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe