CID 53408109

5-bromo-2-methoxypyridin-3-ol

Structural Information

Molecular Formula

C₆H₆BrNO₂

SMILES

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

InChI

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

InChIKey

ZOWAUUKQHFWWOH-UHFFFAOYSA-N

Compound name

5-bromo-2-methoxypyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 202.95819 Da
Monoisotopic Mass: 1.5
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	132.8
[M+Na]+	225.94741	136.8
[M+NH4]+	220.99201	137.4
[M+K]+	241.92135	137.3
[M-H]-	201.95091	132.5
[M+Na-2H]-	223.93286	136.5
[M]+	202.95764	132.0
[M]-	202.95874	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe