CID 44891234

3-amino-3-(3-bromophenyl)propan-1-ol

Structural Information

Molecular Formula

C₉H₁₂BrNO

SMILES

C1=CC(=CC(=C1)Br)C(CCO)N

InChI

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

InChIKey

ITAZYIGUHYEVEU-UHFFFAOYSA-N

Compound name

3-amino-3-(3-bromophenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 229.01022 Da
Monoisotopic Mass: 1.2
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]+	230.01750	142.7
[M+Na]+	251.99944	144.8
[M+NH4]+	247.04404	147.4
[M+K]+	267.97338	145.1
[M-H]-	228.00294	143.4
[M+Na-2H]-	249.98489	145.7
[M]+	229.00967	141.9
[M]-	229.01077	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe