CID 54592609

1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine

Structural Information

Molecular Formula

C₁₀H₁₈N₄O

SMILES

CCC1=NOC(=N1)C(C)N2CCNCC2

InChI

InChI=1S/C10H18N4O/c1-3-9-12-10(15-13-9)8(2)14-6-4-11-5-7-14/h8,11H,3-7H2,1-2H3

InChIKey

YKOUFZWBCNJRRJ-UHFFFAOYSA-N

Compound name

3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 210.14806 Da
Monoisotopic Mass: 0.6
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]+	211.155336	150.6
[M+Na]+	233.137278	156.1
[M-H]-	209.140784	150.3
[M+NH4]+	228.181883	163.2
[M+K]+	249.111218	154.4
[M+H-H2O]+	193.145320	140.9
[M+HCOO]-	255.146261	164.1
[M+CH3COO]-	269.161911	183.6
[M+Na-2H]-	231.122726	152.8
[M]+	210.14751142	146.6
[M]-	210.14860858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe