CID 124706059

6-bromo-2-methoxypyridin-3-ol

Structural Information

Molecular Formula

C₆H₆BrNO₂

SMILES

COC1=C(C=CC(=N1)Br)O

InChI

InChI=1S/C6H6BrNO2/c1-10-6-4(9)2-3-5(7)8-6/h2-3,9H,1H3

InChIKey

OHUCFSVXYHAYSA-UHFFFAOYSA-N

Compound name

6-bromo-2-methoxypyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 202.95819 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.96547	129.8
[M+Na]+	225.94741	142.8
[M-H]-	201.95091	134.3
[M+NH4]+	220.99201	151.0
[M+K]+	241.92135	132.6
[M+H-H2O]+	185.95545	130.1
[M+HCOO]-	247.95639	150.6
[M+CH3COO]-	261.97204	179.4
[M+Na-2H]-	223.93286	138.8
[M]+	202.95764	149.5
[M]-	202.95874	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe