CID 70833026

2-bromo-3-methoxy-n-methylaniline hydrochloride

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

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

InChI

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

InChIKey

XVYCDPAZCJJQFH-UHFFFAOYSA-N

Compound name

2-bromo-3-methoxy-N-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	216.001856	136.3
[M+Na]+	237.983798	148.1
[M-H]-	213.987304	143.0
[M+NH4]+	233.028403	158.6
[M+K]+	253.957738	137.5
[M+H-H2O]+	197.991840	136.1
[M+HCOO]-	259.992781	159.7
[M+CH3COO]-	274.008431	187.6
[M+Na-2H]-	235.969246	144.8
[M]+	214.99403142	155.7
[M]-	214.99512858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe