CID 10241257

381233-78-9

Structural Information

Molecular Formula

C₁₀H₈N₂O

SMILES

C1=CC=NC(=C1)C2=CNC(=O)C=C2

InChI

InChI=1S/C10H8N2O/c13-10-5-4-8(7-12-10)9-3-1-2-6-11-9/h1-7H,(H,12,13)

InChIKey

NHWKTZWOSIVHOL-UHFFFAOYSA-N

Compound name

5-pyridin-2-yl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 276
Patents: 172.06366 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]+	173.070936	133.7
[M+Na]+	195.052878	142.9
[M-H]-	171.056384	136.7
[M+NH4]+	190.097483	150.4
[M+K]+	211.026818	138.5
[M+H-H2O]+	155.060920	125.7
[M+HCOO]-	217.061861	155.7
[M+CH3COO]-	231.077511	146.8
[M+Na-2H]-	193.038326	142.9
[M]+	172.06311142	131.6
[M]-	172.06420858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe