CID 3614708

521914-40-9

Structural Information

Molecular Formula

C₁₁H₁₇N₃

SMILES

CC(C1=CC=NC=C1)N2CCNCC2

InChI

InChI=1S/C11H17N3/c1-10(11-2-4-12-5-3-11)14-8-6-13-7-9-14/h2-5,10,13H,6-9H2,1H3

InChIKey

NGAAVRLUIZDMQZ-UHFFFAOYSA-N

Compound name

1-(1-pyridin-4-ylethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 191.14224 Da
Monoisotopic Mass: 0.4
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]+	192.14952	145.5
[M+Na]+	214.13146	149.6
[M-H]-	190.13496	145.3
[M+NH4]+	209.17606	159.4
[M+K]+	230.10540	146.1
[M+H-H2O]+	174.13950	136.1
[M+HCOO]-	236.14044	160.0
[M+CH3COO]-	250.15609	155.2
[M+Na-2H]-	212.11691	150.5
[M]+	191.14169	138.2
[M]-	191.14279	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe