CID 12930028

79568-06-2

Structural Information

Molecular Formula

C₁₂H₁₀N₂O

SMILES

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

InChI

InChI=1S/C12H10N2O/c13-11-5-1-3-9(7-11)12(15)10-4-2-6-14-8-10/h1-8H,13H2

InChIKey

FOHMCNMHVRYMAK-UHFFFAOYSA-N

Compound name

(3-aminophenyl)-pyridin-3-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 198.07932 Da
Monoisotopic Mass: 1.2
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]+	199.08660	141.9
[M+Na]+	221.06854	149.6
[M-H]-	197.07204	147.1
[M+NH4]+	216.11314	159.0
[M+K]+	237.04248	145.9
[M+H-H2O]+	181.07658	134.0
[M+HCOO]-	243.07752	165.6
[M+CH3COO]-	257.09317	186.0
[M+Na-2H]-	219.05399	148.7
[M]+	198.07877	139.6
[M]-	198.07987	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe