CID 12630418

2-{[(2-bromophenyl)methyl]amino}ethan-1-ol hydrochloride

Structural Information

Molecular Formula

C₉H₁₂BrNO

SMILES

C1=CC=C(C(=C1)CNCCO)Br

InChI

InChI=1S/C9H12BrNO/c10-9-4-2-1-3-8(9)7-11-5-6-12/h1-4,11-12H,5-7H2

InChIKey

GOTOOAFMQJAGTN-UHFFFAOYSA-N

Compound name

2-[(2-bromophenyl)methylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 229.01022 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]+	230.017496	142.2
[M+Na]+	251.999438	152.2
[M-H]-	228.002944	146.9
[M+NH4]+	247.044043	162.9
[M+K]+	267.973378	140.4
[M+H-H2O]+	212.007480	141.7
[M+HCOO]-	274.008421	163.8
[M+CH3COO]-	288.024071	186.9
[M+Na-2H]-	249.984886	150.2
[M]+	229.00967142	159.7
[M]-	229.01076858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe