CID 11480902

1-(3-cyanophenyl)piperazine

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

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

InChI

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

InChIKey

LJUHEEFEADORHV-UHFFFAOYSA-N

Compound name

3-piperazin-1-ylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 247
Patents: 187.11095 Da
Monoisotopic Mass: 0.8
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	140.8
[M+Na]+	210.10017	148.4
[M-H]-	186.10367	141.4
[M+NH4]+	205.14477	154.8
[M+K]+	226.07411	143.0
[M+H-H2O]+	170.10821	126.0
[M+HCOO]-	232.10915	154.5
[M+CH3COO]-	246.12480	150.3
[M+Na-2H]-	208.08562	146.0
[M]+	187.11040	129.5
[M]-	187.11150	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe