CID 20820190

2-amino-2-(4-bromo-2-methylphenyl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C9H12BrNO
SMILES
CC1=C(C=CC(=C1)Br)C(CO)N
InChI
InChI=1S/C9H12BrNO/c1-6-4-7(10)2-3-8(6)9(11)5-12/h2-4,9,12H,5,11H2,1H3
InChIKey
APVGIIBNVUYYIO-UHFFFAOYSA-N
Compound name
2-amino-2-(4-bromo-2-methylphenyl)ethanol
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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.017496 143.7
[M+Na]+ 251.999438 154.2
[M-H]- 228.002944 148.4
[M+NH4]+ 247.044043 164.4
[M+K]+ 267.973378 142.5
[M+H-H2O]+ 212.007480 143.4
[M+HCOO]- 274.008421 163.6
[M+CH3COO]- 288.024071 188.2
[M+Na-2H]- 249.984886 148.7
[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

No patent data available for this compound.