CID 62550250

861199-14-6

Structural Information

Molecular Formula

C₁₀H₁₄BrNO

SMILES

CNCCC1=CC(=C(C=C1)OC)Br

InChI

InChI=1S/C10H14BrNO/c1-12-6-5-8-3-4-10(13-2)9(11)7-8/h3-4,7,12H,5-6H2,1-2H3

InChIKey

YLWFORLQLZRAND-UHFFFAOYSA-N

Compound name

2-(3-bromo-4-methoxyphenyl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 243.02588 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]+	244.03316	145.6
[M+Na]+	266.01510	156.5
[M-H]-	242.01860	151.9
[M+NH4]+	261.05970	166.9
[M+K]+	281.98904	145.5
[M+H-H2O]+	226.02314	145.0
[M+HCOO]-	288.02408	168.3
[M+CH3COO]-	302.03973	193.3
[M+Na-2H]-	264.00055	153.0
[M]+	243.02533	165.7
[M]-	243.02643	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe