CID 73839

1463-08-7

Structural Information

Molecular Formula

C₁₀H₁₄BrN

SMILES

CC(C)(CC1=CC=C(C=C1)Br)N

InChI

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

InChIKey

DXXPWEKAYXAOPR-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)-2-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 127
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	143.9
[M+Na]+	250.02018	146.7
[M+NH4]+	245.06478	149.2
[M+K]+	265.99412	146.4
[M-H]-	226.02368	145.1
[M+Na-2H]-	248.00563	147.8
[M]+	227.03041	143.5
[M]-	227.03151	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe