CID 43632386

2193052-01-4

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

C1C(CC1N)C2=CC(=CC=C2)Br

InChI

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

InChIKey

LQLSFITUIQFMQG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.0153 Da
Monoisotopic Mass: 2.3
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	140.3
[M+Na]+	248.00452	140.1
[M+NH4]+	243.04912	142.9
[M+K]+	263.97846	141.0
[M-H]-	224.00802	141.0
[M+Na-2H]-	245.98997	143.0
[M]+	225.01475	138.3
[M]-	225.01585	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.