CID 59362065

3-(piperazin-1-yl)pyridine-4-carbonitrile

Structural Information

Molecular Formula

C₁₀H₁₂N₄

SMILES

C1CN(CCN1)C2=C(C=CN=C2)C#N

InChI

InChI=1S/C10H12N4/c11-7-9-1-2-13-8-10(9)14-5-3-12-4-6-14/h1-2,8,12H,3-6H2

InChIKey

ZXIHCOUUXOPZSO-UHFFFAOYSA-N

Compound name

3-piperazin-1-ylpyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 188.1062 Da
Monoisotopic Mass: 0.0
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]+	189.11348	147.6
[M+Na]+	211.09542	159.7
[M+NH4]+	206.14002	151.9
[M+K]+	227.06936	149.9
[M-H]-	187.09892	142.5
[M+Na-2H]-	209.08087	152.1
[M]+	188.10565	146.9
[M]-	188.10675	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe