CID 12474014

71095-20-0

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

C1=CC=C(C(=C1)C(CN)O)Br

InChI

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

InChIKey

LNRDJBNFUFLKON-UHFFFAOYSA-N

Compound name

2-amino-1-(2-bromophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
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]+	216.001856	139.5
[M+Na]+	237.983798	149.6
[M-H]-	213.987304	144.0
[M+NH4]+	233.028403	160.4
[M+K]+	253.957738	138.1
[M+H-H2O]+	197.991840	139.2
[M+HCOO]-	259.992781	159.8
[M+CH3COO]-	274.008431	184.3
[M+Na-2H]-	235.969246	145.7
[M]+	214.99403142	155.1
[M]-	214.99512858	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe