CID 103845987

2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₄BrNO₂

SMILES

CNC(CO)C1=C(C=CC(=C1)OC)Br

InChI

InChI=1S/C10H14BrNO2/c1-12-10(6-13)8-5-7(14-2)3-4-9(8)11/h3-5,10,12-13H,6H2,1-2H3

InChIKey

FBVIFOVPPRDLJE-UHFFFAOYSA-N

Compound name

2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.02078 Da
Monoisotopic Mass: 1.3
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]+	260.028056	149.9
[M+Na]+	282.009998	159.9
[M-H]-	258.013504	154.8
[M+NH4]+	277.054603	169.6
[M+K]+	297.983938	148.8
[M+H-H2O]+	242.018040	149.1
[M+HCOO]-	304.018981	170.3
[M+CH3COO]-	318.034631	193.6
[M+Na-2H]-	279.995446	155.4
[M]+	259.02023142	168.8
[M]-	259.02132858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.