CID 79685437

3-amino-2-(3-bromophenyl)propan-1-ol hydrochloride

Structural Information

Molecular Formula
C9H12BrNO
SMILES
C1=CC(=CC(=C1)Br)C(CN)CO
InChI
InChI=1S/C9H12BrNO/c10-9-3-1-2-7(4-9)8(5-11)6-12/h1-4,8,12H,5-6,11H2
InChIKey
HVDURYQJOJOLLH-UHFFFAOYSA-N
Compound name
3-amino-2-(3-bromophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01022 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.