CID 81020

6531-38-0

Structural Information

Molecular Formula

C₈H₂₀N₄

SMILES

C1CN(CCN1CCN)CCN

InChI

InChI=1S/C8H20N4/c9-1-3-11-5-7-12(4-2-10)8-6-11/h1-10H2

InChIKey

PAOXFRSJRCGJLV-UHFFFAOYSA-N

Compound name

2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 6596
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	141.9
[M+Na]+	195.15802	145.9
[M-H]-	171.16152	140.7
[M+NH4]+	190.20262	158.4
[M+K]+	211.13196	143.9
[M+H-H2O]+	155.16606	133.9
[M+HCOO]-	217.16700	160.6
[M+CH3COO]-	231.18265	184.4
[M+Na-2H]-	193.14347	145.5
[M]+	172.16825	135.0
[M]-	172.16935	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe