CID 22633091

1-cyanopiperazine

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

C1CN(CCN1)C#N

InChI

InChI=1S/C5H9N3/c6-5-8-3-1-7-2-4-8/h7H,1-4H2

InChIKey

DJDBLBBSUAQYAA-UHFFFAOYSA-N

Compound name

piperazine-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 283
Patents: 111.07965 Da
Monoisotopic Mass: -0.1
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]+	112.08693	127.2
[M+Na]+	134.06887	137.4
[M+NH4]+	129.11347	131.8
[M+K]+	150.04281	128.8
[M-H]-	110.07237	120.4
[M+Na-2H]-	132.05432	129.8
[M]+	111.07910	125.6
[M]-	111.08020	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe