CID 2733995

68104-63-2

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

C1CN(CCN1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C11H13N3/c12-9-10-1-3-11(4-2-10)14-7-5-13-6-8-14/h1-4,13H,5-8H2

InChIKey

DJJNYEXRPRQXPD-UHFFFAOYSA-N

Compound name

4-piperazin-1-ylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 815
Patents: 187.11095 Da
Monoisotopic Mass: 0.9
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]+	188.11823	147.5
[M+Na]+	210.10017	159.7
[M+NH4]+	205.14477	152.4
[M+K]+	226.07411	149.3
[M-H]-	186.10367	143.1
[M+Na-2H]-	208.08562	152.2
[M]+	187.11040	147.1
[M]-	187.11150	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe