CID 110478

68532-86-5

Structural Information

Molecular Formula

C₁₁H₁₁N₂O₂

SMILES

CC1=CC(=O)NC(=C1[N+]2=CC=CC=C2)O

InChI

InChI=1S/C11H10N2O2/c1-8-7-9(14)12-11(15)10(8)13-5-3-2-4-6-13/h2-7H,1H3,(H-,12,14,15)/p+1

InChIKey

HYBSZKBDXBJNKG-UHFFFAOYSA-O

Compound name

6-hydroxy-4-methyl-5-pyridin-1-ium-1-yl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 203.08205 Da
Monoisotopic Mass: 0.4
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]+	204.089326	143.9
[M+Na]+	226.071268	153.8
[M-H]-	202.074774	146.6
[M+NH4]+	221.115873	159.0
[M+K]+	242.045208	143.4
[M+H-H2O]+	186.079310	139.0
[M+HCOO]-	248.080251	163.9
[M+CH3COO]-	262.095901	173.1
[M+Na-2H]-	224.056716	152.9
[M]+	203.08150142	141.3
[M]-	203.08259858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe