CID 53414441

(3-bromo-5-methoxyphenyl)methanamine

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

COC1=CC(=CC(=C1)CN)Br

InChI

InChI=1S/C8H10BrNO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,5,10H2,1H3

InChIKey

DFTOTOJXAAJQNO-UHFFFAOYSA-N

Compound name

(3-bromo-5-methoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 214.99458 Da
Monoisotopic Mass: 1.4
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	137.8
[M+Na]+	237.98380	141.2
[M+NH4]+	233.02840	143.1
[M+K]+	253.95774	140.9
[M-H]-	213.98730	139.2
[M+Na-2H]-	235.96925	141.7
[M]+	214.99403	137.5
[M]-	214.99513	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe