CID 90347

N-[2-(1-piperazinyl)ethyl]ethylenediamine

Structural Information

Molecular Formula

C₈H₂₀N₄

SMILES

C1CN(CCN1)CCNCCN

InChI

InChI=1S/C8H20N4/c9-1-2-10-3-6-12-7-4-11-5-8-12/h10-11H,1-9H2

InChIKey

WBIWIXJUBVWKLS-UHFFFAOYSA-N

Compound name

N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1375
Patents: 172.1688 Da
Monoisotopic Mass: -1.8
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]+	173.17608	141.1
[M+Na]+	195.15802	143.7
[M-H]-	171.16152	138.6
[M+NH4]+	190.20262	156.8
[M+K]+	211.13196	141.2
[M+H-H2O]+	155.16606	133.1
[M+HCOO]-	217.16700	158.9
[M+CH3COO]-	231.18265	181.4
[M+Na-2H]-	193.14347	146.1
[M]+	172.16825	133.0
[M]-	172.16935	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe