CID 52911268

3-amino-5-bromo-1-methyl-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

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

InChI

InChI=1S/C6H7BrN2O/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,8H2,1H3

InChIKey

KRUDZWOELKQDJW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 301
Patents: 201.97418 Da
Monoisotopic Mass: 0.3
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]+	202.981456	129.6
[M+Na]+	224.963398	143.3
[M-H]-	200.966904	135.1
[M+NH4]+	220.008003	151.1
[M+K]+	240.937338	132.1
[M+H-H2O]+	184.971440	129.2
[M+HCOO]-	246.972381	152.0
[M+CH3COO]-	260.988031	184.1
[M+Na-2H]-	222.948846	137.6
[M]+	201.97363142	147.6
[M]-	201.97472858	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe