CID 77130434

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

Structural Information

Molecular Formula
C9H12BrNO2
SMILES
COC1=C(C=CC(=C1)Br)C(CO)N
InChI
InChI=1S/C9H12BrNO2/c1-13-9-4-6(10)2-3-7(9)8(11)5-12/h2-4,8,12H,5,11H2,1H3
InChIKey
IORLMMQRQVGMDV-UHFFFAOYSA-N
Compound name
2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.00514 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01242 145.6
[M+Na]+ 267.99436 147.6
[M+NH4]+ 263.03896 149.8
[M+K]+ 283.96830 148.5
[M-H]- 243.99786 145.8
[M+Na-2H]- 265.97981 147.9
[M]+ 245.00459 144.6
[M]- 245.00569 144.6
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.