CID 13586792

81998-03-0

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

CC1=CC(=NC=C1)C2=[N+](C=CC(=C2)C)[O-]

InChI

InChI=1S/C12H12N2O/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15/h3-8H,1-2H3

InChIKey

VNSKKRAUVGCMPH-UHFFFAOYSA-N

Compound name

4-methyl-2-(4-methylpyridin-2-yl)-1-oxidopyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 200.09496 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]+	201.10224	142.5
[M+Na]+	223.08418	160.6
[M+NH4]+	218.12878	151.8
[M+K]+	239.05812	154.5
[M-H]-	199.08768	147.8
[M+Na-2H]-	221.06963	152.6
[M]+	200.09441	146.8
[M]-	200.09551	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe