CID 43345659

1-(3-bromophenyl)cyclobutanamine

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

C1CC(C1)(C2=CC(=CC=C2)Br)N

InChI

InChI=1S/C10H12BrN/c11-9-4-1-3-8(7-9)10(12)5-2-6-10/h1,3-4,7H,2,5-6,12H2

InChIKey

WIXMLWFYSVFSNY-UHFFFAOYSA-N

Compound name

1-(3-bromophenyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 225.0153 Da
Monoisotopic Mass: 2.2
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]+	226.02258	141.3
[M+Na]+	248.00452	140.9
[M+NH4]+	243.04912	145.1
[M+K]+	263.97846	140.2
[M-H]-	224.00802	141.9
[M+Na-2H]-	245.98997	145.4
[M]+	225.01475	139.5
[M]-	225.01585	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe