CID 95624

Alpha-pyridoin

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

C1=CC=NC(=C1)C(C(=O)C2=CC=CC=N2)O

InChI

InChI=1S/C12H10N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8,11,15H

InChIKey

ZKBDAJDDDOIASC-UHFFFAOYSA-N

Compound name

2-hydroxy-1,2-dipyridin-2-ylethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 176
Patents: 214.07423 Da
Monoisotopic Mass: 0.9
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]+	215.081506	145.6
[M+Na]+	237.063448	152.2
[M-H]-	213.066954	148.1
[M+NH4]+	232.108053	160.0
[M+K]+	253.037388	148.9
[M+H-H2O]+	197.071490	137.0
[M+HCOO]-	259.072431	165.1
[M+CH3COO]-	273.088081	183.8
[M+Na-2H]-	235.048896	152.1
[M]+	214.07368142	144.0
[M]-	214.07477858	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe