CID 19422955

2-amino-1-(4-bromophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H12BrNO
SMILES
CC(C(C1=CC=C(C=C1)Br)O)N
InChI
InChI=1S/C9H12BrNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H3
InChIKey
CLWNDLFWAFLCSS-UHFFFAOYSA-N
Compound name
2-amino-1-(4-bromophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

229.01022 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01750 144.9
[M+Na]+ 251.99944 154.2
[M-H]- 228.00294 149.2
[M+NH4]+ 247.04404 165.1
[M+K]+ 267.97338 143.0
[M+H-H2O]+ 212.00748 144.4
[M+HCOO]- 274.00842 163.9
[M+CH3COO]- 288.02407 188.0
[M+Na-2H]- 249.98489 149.3
[M]+ 229.00967 160.1
[M]- 229.01077 160.1
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