CID 19796213

1-[2-(2-methoxyethoxy)ethyl]piperazine dihydrochloride

Structural Information

Molecular Formula

C₉H₂₀N₂O₂

SMILES

COCCOCCN1CCNCC1

InChI

InChI=1S/C9H20N2O2/c1-12-8-9-13-7-6-11-4-2-10-3-5-11/h10H,2-9H2,1H3

InChIKey

LQVJNGKUEHBOAN-UHFFFAOYSA-N

Compound name

1-[2-(2-methoxyethoxy)ethyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 188.15248 Da
Monoisotopic Mass: -0.7
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]+	189.15976	145.3
[M+Na]+	211.14170	149.0
[M-H]-	187.14520	143.1
[M+NH4]+	206.18630	161.2
[M+K]+	227.11564	147.7
[M+H-H2O]+	171.14974	137.5
[M+HCOO]-	233.15068	161.7
[M+CH3COO]-	247.16633	179.2
[M+Na-2H]-	209.12715	149.9
[M]+	188.15193	142.9
[M]-	188.15303	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe