CID 132344528

3-bromo-4-hydroxy-6-methylpyridin-2(1h)-one

Structural Information

Molecular Formula

C₆H₆BrNO₂

SMILES

CC1=CC(=C(C(=O)N1)Br)O

InChI

InChI=1S/C6H6BrNO2/c1-3-2-4(9)5(7)6(10)8-3/h2H,1H3,(H2,8,9,10)

InChIKey

JUZXRPAIABIQNN-UHFFFAOYSA-N

Compound name

3-bromo-4-hydroxy-6-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 202.95819 Da
Monoisotopic Mass: 0.8
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	129.3
[M+Na]+	225.94741	143.0
[M-H]-	201.95091	132.8
[M+NH4]+	220.99201	150.1
[M+K]+	241.92135	131.2
[M+H-H2O]+	185.95545	129.9
[M+HCOO]-	247.95639	148.8
[M+CH3COO]-	261.97204	177.3
[M+Na-2H]-	223.93286	137.1
[M]+	202.95764	146.9
[M]-	202.95874	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe