CID 89145

Piperazine-1,4-dicarbonitrile

Structural Information

Molecular Formula

C₆H₈N₄

SMILES

C1CN(CCN1C#N)C#N

InChI

InChI=1S/C6H8N4/c7-5-9-1-2-10(6-8)4-3-9/h1-4H2

InChIKey

LYNGZIQNNXHQLV-UHFFFAOYSA-N

Compound name

piperazine-1,4-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 136.07489 Da
Monoisotopic Mass: 0.6
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]+	137.082166	133.8
[M+Na]+	159.064108	142.0
[M-H]-	135.067614	134.7
[M+NH4]+	154.108713	145.9
[M+K]+	175.038048	140.1
[M+H-H2O]+	119.072150	117.6
[M+HCOO]-	181.073091	143.1
[M+CH3COO]-	195.088741	208.5
[M+Na-2H]-	157.049556	137.4
[M]+	136.07434142	122.9
[M]-	136.07543858	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe