CID 43565982

1-(2-bromophenyl)butan-2-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄BrN

SMILES

CCC(CC1=CC=CC=C1Br)N

InChI

InChI=1S/C10H14BrN/c1-2-9(12)7-8-5-3-4-6-10(8)11/h3-6,9H,2,7,12H2,1H3

InChIKey

ZBDCBONPLNNBMS-UHFFFAOYSA-N

Compound name

1-(2-bromophenyl)butan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.03096 Da
Monoisotopic Mass: 2.9
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]+	228.038236	145.2
[M+Na]+	250.020178	155.0
[M-H]-	226.023684	150.7
[M+NH4]+	245.064783	166.4
[M+K]+	265.994118	143.5
[M+H-H2O]+	210.028220	144.6
[M+HCOO]-	272.029161	166.1
[M+CH3COO]-	286.044811	190.5
[M+Na-2H]-	248.005626	150.9
[M]+	227.03041142	161.9
[M]-	227.03150858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.