CID 103845987

2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethan-1-ol

Structural Information

Molecular Formula
C10H14BrNO2
SMILES
CNC(CO)C1=C(C=CC(=C1)OC)Br
InChI
InChI=1S/C10H14BrNO2/c1-12-10(6-13)8-5-7(14-2)3-4-9(8)11/h3-5,10,12-13H,6H2,1-2H3
InChIKey
FBVIFOVPPRDLJE-UHFFFAOYSA-N
Compound name
2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.02078 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.02806 149.9
[M+Na]+ 282.01000 159.9
[M-H]- 258.01350 154.8
[M+NH4]+ 277.05460 169.6
[M+K]+ 297.98394 148.8
[M+H-H2O]+ 242.01804 149.1
[M+HCOO]- 304.01898 170.3
[M+CH3COO]- 318.03463 193.6
[M+Na-2H]- 279.99545 155.4
[M]+ 259.02023 168.8
[M]- 259.02133 168.8
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.