CID 775466

[(5-bromo-2-methoxyphenyl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula

C₉H₁₂BrNO

SMILES

CNCC1=C(C=CC(=C1)Br)OC

InChI

InChI=1S/C9H12BrNO/c1-11-6-7-5-8(10)3-4-9(7)12-2/h3-5,11H,6H2,1-2H3

InChIKey

ULRBLFXZOFZHLD-UHFFFAOYSA-N

Compound name

1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 229.01022 Da
Monoisotopic Mass: 2.0
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]+	230.017496	141.0
[M+Na]+	251.999438	152.3
[M-H]-	228.002944	147.5
[M+NH4]+	247.044043	162.8
[M+K]+	267.973378	141.5
[M+H-H2O]+	212.007480	140.6
[M+HCOO]-	274.008421	164.0
[M+CH3COO]-	288.024071	190.5
[M+Na-2H]-	249.984886	148.9
[M]+	229.00967142	160.7
[M]-	229.01076858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe