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 146.3
[M+Na]+ 267.99436 156.6
[M-H]- 243.99786 150.8
[M+NH4]+ 263.03896 166.2
[M+K]+ 283.96830 145.4
[M+H-H2O]+ 228.00240 145.6
[M+HCOO]- 290.00334 166.4
[M+CH3COO]- 304.01899 190.2
[M+Na-2H]- 265.97981 151.2
[M]+ 245.00459 163.8
[M]- 245.00569 163.8
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.