CID 82111169

Piperidine-4,4-dicarbonitrile hydrochloride

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

C1CNCCC1(C#N)C#N

InChI

InChI=1S/C7H9N3/c8-5-7(6-9)1-3-10-4-2-7/h10H,1-4H2

InChIKey

DHTIBNKESDRVJO-UHFFFAOYSA-N

Compound name

piperidine-4,4-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 135.07965 Da
Monoisotopic Mass: -0.2
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]+	136.08693	159.1
[M+Na]+	158.06887	166.6
[M+NH4]+	153.11347	160.8
[M+K]+	174.04281	155.3
[M-H]-	134.07237	148.7
[M+Na-2H]-	156.05432	158.7
[M]+	135.07910	155.9
[M]-	135.08020	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe