CID 14853191

2-amino-2-(4-bromophenyl)ethanol

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

C1=CC(=CC=C1[C@H](CO)N)Br

InChI

InChI=1S/C8H10BrNO/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8,11H,5,10H2/t8-/m0/s1

InChIKey

KTNHFPRYCCCOQV-QMMMGPOBSA-N

Compound name

(2R)-2-amino-2-(4-bromophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 312
Patents: 214.99458 Da
Monoisotopic Mass: 0.8
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	139.5
[M+Na]+	237.98380	149.6
[M-H]-	213.98730	144.0
[M+NH4]+	233.02840	160.4
[M+K]+	253.95774	138.1
[M+H-H2O]+	197.99184	139.2
[M+HCOO]-	259.99278	159.8
[M+CH3COO]-	274.00843	184.3
[M+Na-2H]-	235.96925	145.7
[M]+	214.99403	155.1
[M]-	214.99513	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe