CID 13728941

2470279-02-6

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

C1=CC(=CC=C1[C@H](CN)O)Br

InChI

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

InChIKey

RETMUAMXYIIWAQ-QMMMGPOBSA-N

Compound name

(1R)-2-amino-1-(4-bromophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
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	138.2
[M+Na]+	237.98380	140.4
[M+NH4]+	233.02840	143.0
[M+K]+	253.95774	141.0
[M-H]-	213.98730	138.9
[M+Na-2H]-	235.96925	141.4
[M]+	214.99403	137.4
[M]-	214.99513	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe