CID 28804660

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

Structural Information

Molecular Formula
C9H12BrNO
SMILES
C1=CC(=CC(=C1)Br)C[C@@H](CO)N
InChI
InChI=1S/C9H12BrNO/c10-8-3-1-2-7(4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2/t9-/m0/s1
InChIKey
RRMCWFHKHSBXJH-VIFPVBQESA-N
Compound name
(2S)-2-amino-3-(3-bromophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

229.01022 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.017496 144.1
[M+Na]+ 251.999438 153.8
[M-H]- 228.002944 148.4
[M+NH4]+ 247.044043 164.5
[M+K]+ 267.973378 142.1
[M+H-H2O]+ 212.007480 143.6
[M+HCOO]- 274.008421 164.1
[M+CH3COO]- 288.024071 187.1
[M+Na-2H]- 249.984886 149.8
[M]+ 229.00967142 160.0
[M]- 229.01076858 160.0
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

patents stripe