CID 16741484

865604-20-2

Structural Information

Molecular Formula

C₁₀H₉N₃

SMILES

C1=CC(=CN=C1)C2=CC(=NC=C2)N

InChI

InChI=1S/C10H9N3/c11-10-6-8(3-5-13-10)9-2-1-4-12-7-9/h1-7H,(H2,11,13)

InChIKey

VZSPRDGYHFGDAY-UHFFFAOYSA-N

Compound name

4-pyridin-3-ylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 171.07965 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]+	172.08693	134.9
[M+Na]+	194.06887	143.5
[M-H]-	170.07237	138.7
[M+NH4]+	189.11347	151.9
[M+K]+	210.04281	139.6
[M+H-H2O]+	154.07691	126.5
[M+HCOO]-	216.07785	158.4
[M+CH3COO]-	230.09350	148.0
[M+Na-2H]-	192.05432	144.1
[M]+	171.07910	132.3
[M]-	171.08020	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe