CID 68827154

2138565-75-8

Structural Information

Molecular Formula

C₉H₉N₃

SMILES

C1C(CN1)(C#N)C2=CC=CC=N2

InChI

InChI=1S/C9H9N3/c10-5-9(6-11-7-9)8-3-1-2-4-12-8/h1-4,11H,6-7H2

InChIKey

HTHLNMHKEFZRPB-UHFFFAOYSA-N

Compound name

3-pyridin-2-ylazetidine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 159.07965 Da
Monoisotopic Mass: -0.3
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]+	160.08693	135.2
[M+Na]+	182.06887	143.5
[M+NH4]+	177.11347	137.9
[M+K]+	198.04281	134.4
[M-H]-	158.07237	128.0
[M+Na-2H]-	180.05432	139.6
[M]+	159.07910	132.6
[M]-	159.08020	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe