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: 29
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]+	136.086926	140.3
[M+Na]+	158.068868	149.1
[M-H]-	134.072374	142.0
[M+NH4]+	153.113473	154.4
[M+K]+	174.042808	145.0
[M+H-H2O]+	118.076910	125.8
[M+HCOO]-	180.077851	149.7
[M+CH3COO]-	194.093501	205.9
[M+Na-2H]-	156.054316	144.2
[M]+	135.07910142	128.4
[M]-	135.08019858	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe