CID 24261415

4-(4-bromophenyl)butan-2-amine

Structural Information

Molecular Formula

C₁₀H₁₄BrN

SMILES

CC(CCC1=CC=C(C=C1)Br)N

InChI

InChI=1S/C10H14BrN/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8H,2-3,12H2,1H3

InChIKey

CVIOYLYCNCWKGX-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)butan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 227.03096 Da
Monoisotopic Mass: 2.7
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]+	228.03824	143.0
[M+Na]+	250.02018	145.8
[M+NH4]+	245.06478	148.3
[M+K]+	265.99412	145.2
[M-H]-	226.02368	144.5
[M+Na-2H]-	248.00563	146.7
[M]+	227.03041	142.6
[M]-	227.03151	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe