CID 181860

1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-2-one

Structural Information

Molecular Formula

C₁₂H₁₃N₂O

SMILES

CN1C=CC(=CC1=O)C2=CC=[N+](C=C2)C

InChI

InChI=1S/C12H13N2O/c1-13-6-3-10(4-7-13)11-5-8-14(2)12(15)9-11/h3-9H,1-2H3/q+1

InChIKey

JJAUDUMTDBMCJW-UHFFFAOYSA-N

Compound name

1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.10278 Da
Monoisotopic Mass: 0.6
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]+	202.110056	144.0
[M+Na]+	224.091998	154.4
[M-H]-	200.095504	149.2
[M+NH4]+	219.136603	160.6
[M+K]+	240.065938	145.1
[M+H-H2O]+	184.100040	138.5
[M+HCOO]-	246.100981	166.4
[M+CH3COO]-	260.116631	179.3
[M+Na-2H]-	222.077446	153.3
[M]+	201.10223142	144.0
[M]-	201.10332858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe