CID 84048936

1706752-65-9

Structural Information

Molecular Formula

C₆H₆BrNO₂

SMILES

CN1C=C(C=C(C1=O)O)Br

InChI

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

InChIKey

IALZHEPWQWPQTM-UHFFFAOYSA-N

Compound name

5-bromo-3-hydroxy-1-methylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 202.95819 Da
Monoisotopic Mass: 0.7
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	131.5
[M+Na]+	225.94741	135.9
[M+NH4]+	220.99201	135.9
[M+K]+	241.92135	136.6
[M-H]-	201.95091	131.1
[M+Na-2H]-	223.93286	135.0
[M]+	202.95764	130.8
[M]-	202.95874	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe