CID 298471

Di-3-pyridinylmethanone

Structural Information

Molecular Formula

C₁₁H₈N₂O

SMILES

C1=CC(=CN=C1)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C11H8N2O/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10/h1-8H

InChIKey

AQLPDLOXKZRZEV-UHFFFAOYSA-N

Compound name

dipyridin-3-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 411
Patents: 184.06366 Da
Monoisotopic Mass: 0.8
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]+	185.070936	137.4
[M+Na]+	207.052878	145.3
[M-H]-	183.056384	141.3
[M+NH4]+	202.097483	153.8
[M+K]+	223.026818	142.1
[M+H-H2O]+	167.060920	128.7
[M+HCOO]-	229.061861	159.5
[M+CH3COO]-	243.077511	150.3
[M+Na-2H]-	205.038326	146.1
[M]+	184.06311142	136.4
[M]-	184.06420858	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe