CID 566605

Piperazine, 2-pyridylethyl-

Structural Information

Molecular Formula

C₁₁H₁₇N₃

SMILES

C1CN(CCN1)CCC2=CC=CC=N2

InChI

InChI=1S/C11H17N3/c1-2-5-13-11(3-1)4-8-14-9-6-12-7-10-14/h1-3,5,12H,4,6-10H2

InChIKey

NJUNCRDVGUBYCB-UHFFFAOYSA-N

Compound name

1-(2-pyridin-2-ylethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 189
Patents: 191.14224 Da
Monoisotopic Mass: 0.2
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]+	192.14952	145.3
[M+Na]+	214.13146	149.7
[M-H]-	190.13496	145.0
[M+NH4]+	209.17606	159.3
[M+K]+	230.10540	145.6
[M+H-H2O]+	174.13950	135.7
[M+HCOO]-	236.14044	160.7
[M+CH3COO]-	250.15609	155.1
[M+Na-2H]-	212.11691	151.5
[M]+	191.14169	138.6
[M]-	191.14279	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe