CID 18782691

3-bromo-4-methoxy-n-methylaniline hydrochloride

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

CNC1=CC(=C(C=C1)OC)Br

InChI

InChI=1S/C8H10BrNO/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5,10H,1-2H3

InChIKey

BZYHQRMBFOGPCJ-UHFFFAOYSA-N

Compound name

3-bromo-4-methoxy-N-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 214.99458 Da
Monoisotopic Mass: 2.6
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]+	216.00186	137.5
[M+Na]+	237.98380	141.1
[M+NH4]+	233.02840	142.9
[M+K]+	253.95774	140.6
[M-H]-	213.98730	139.0
[M+Na-2H]-	235.96925	141.8
[M]+	214.99403	137.2
[M]-	214.99513	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe