CID 20231

4241-12-7

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

CC1=C(C=C(C(=O)N1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C13H10N2O/c1-9-12(10-5-3-2-4-6-10)7-11(8-14)13(16)15-9/h2-7H,1H3,(H,15,16)

InChIKey

OEKMRMSCUYJJHJ-UHFFFAOYSA-N

Compound name

6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 27
Patents: 210.07932 Da
Monoisotopic Mass: 1.1
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]+	211.08660	148.0
[M+Na]+	233.06854	162.8
[M+NH4]+	228.11314	152.9
[M+K]+	249.04248	152.2
[M-H]-	209.07204	144.3
[M+Na-2H]-	231.05399	154.3
[M]+	210.07877	148.4
[M]-	210.07987	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe