CID 246344

N,n'-diallylpiperazine

Structural Information

Molecular Formula

C₁₀H₁₈N₂

SMILES

C=CCN1CCN(CC1)CC=C

InChI

InChI=1S/C10H18N2/c1-3-5-11-7-9-12(6-4-2)10-8-11/h3-4H,1-2,5-10H2

InChIKey

CHAQCCZFQZMBCQ-UHFFFAOYSA-N

Compound name

1,4-bis(prop-2-enyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 496
Patents: 166.147 Da
Monoisotopic Mass: 1.4
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]+	167.15428	141.4
[M+Na]+	189.13622	152.4
[M+NH4]+	184.18082	149.1
[M+K]+	205.11016	145.0
[M-H]-	165.13972	142.0
[M+Na-2H]-	187.12167	145.7
[M]+	166.14645	142.9
[M]-	166.14755	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe