CID 11513793

2-(cyclopropylamino)nicotinonitrile

Structural Information

Molecular Formula

C₉H₉N₃

SMILES

C1CC1NC2=C(C=CC=N2)C#N

InChI

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

InChIKey

NQVWMXLKPISDFN-UHFFFAOYSA-N

Compound name

2-(cyclopropylamino)pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 159.07965 Da
Monoisotopic Mass: 2.0
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	138.3
[M+Na]+	182.06887	151.5
[M+NH4]+	177.11347	144.2
[M+K]+	198.04281	143.2
[M-H]-	158.07237	141.0
[M+Na-2H]-	180.05432	146.1
[M]+	159.07910	141.1
[M]-	159.08020	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe