CID 13795742

1-(6-ethoxypyridin-2-yl)piperazine

Structural Information

Molecular Formula

C₁₁H₁₇N₃O

SMILES

CCOC1=CC=CC(=N1)N2CCNCC2

InChI

InChI=1S/C11H17N3O/c1-2-15-11-5-3-4-10(13-11)14-8-6-12-7-9-14/h3-5,12H,2,6-9H2,1H3

InChIKey

IGBPLIGXKQSNKV-UHFFFAOYSA-N

Compound name

1-(6-ethoxy-2-pyridinyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 38
Patents: 207.13716 Da
Monoisotopic Mass: 1.3
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]+	208.144436	148.8
[M+Na]+	230.126378	154.1
[M-H]-	206.129884	148.9
[M+NH4]+	225.170983	162.4
[M+K]+	246.100318	150.5
[M+H-H2O]+	190.134420	139.3
[M+HCOO]-	252.135361	164.5
[M+CH3COO]-	266.151011	182.8
[M+Na-2H]-	228.111826	154.2
[M]+	207.13661142	143.9
[M]-	207.13770858	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe