CID 61779086

4-bromo-n-cyclobutylaniline

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

C1CC(C1)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C10H12BrN/c11-8-4-6-10(7-5-8)12-9-2-1-3-9/h4-7,9,12H,1-3H2

InChIKey

IGPMMRGKAPAWJC-UHFFFAOYSA-N

Compound name

4-bromo-N-cyclobutylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 225.0153 Da
Monoisotopic Mass: 3.5
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	133.1
[M+Na]+	248.00452	141.8
[M-H]-	224.00802	141.8
[M+NH4]+	243.04912	148.5
[M+K]+	263.97846	133.9
[M+H-H2O]+	208.01256	127.8
[M+HCOO]-	270.01350	154.3
[M+CH3COO]-	284.02915	191.6
[M+Na-2H]-	245.98997	141.5
[M]+	225.01475	156.5
[M]-	225.01585	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.