CID 49761591

2-bromo-3-methoxypyridin-4-ol

Structural Information

Molecular Formula

C₆H₆BrNO₂

SMILES

COC1=C(NC=CC1=O)Br

InChI

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

InChIKey

DOXWIDZUNWGGBU-UHFFFAOYSA-N

Compound name

2-bromo-3-methoxy-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 202.95819 Da
Monoisotopic Mass: 1.2
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]+	203.965466	128.6
[M+Na]+	225.947408	141.9
[M-H]-	201.950914	133.1
[M+NH4]+	220.992013	149.8
[M+K]+	241.921348	131.1
[M+H-H2O]+	185.955450	129.0
[M+HCOO]-	247.956391	149.6
[M+CH3COO]-	261.972041	178.6
[M+Na-2H]-	223.932856	137.7
[M]+	202.95764142	147.6
[M]-	202.95873858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe