CID 23291925

3-bromo-4-methyl-n-(propan-2-yl)aniline

Structural Information

Molecular Formula

C₁₀H₁₄BrN

SMILES

CC1=C(C=C(C=C1)NC(C)C)Br

InChI

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

InChIKey

OAIZUIJUSWRJEM-UHFFFAOYSA-N

Compound name

3-bromo-4-methyl-N-propan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 227.03096 Da
Monoisotopic Mass: 3.8
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	142.1
[M+Na]+	250.02018	145.5
[M+NH4]+	245.06478	147.6
[M+K]+	265.99412	144.9
[M-H]-	226.02368	143.8
[M+Na-2H]-	248.00563	146.1
[M]+	227.03041	141.9
[M]-	227.03151	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe