CID 161703

31295-54-2

Structural Information

Molecular Formula

C₁₀H₂₅N₅

SMILES

C1CN(CCN1CCN)CCNCCN

InChI

InChI=1S/C10H25N5/c11-1-3-13-4-6-15-9-7-14(5-2-12)8-10-15/h13H,1-12H2

InChIKey

CXNQJNPKMZRHBC-UHFFFAOYSA-N

Compound name

N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 687
Patents: 215.211 Da
Monoisotopic Mass: -2.2
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]+	216.21828	151.8
[M+Na]+	238.20022	158.1
[M+NH4]+	233.24482	158.0
[M+K]+	254.17416	152.9
[M-H]-	214.20372	153.2
[M+Na-2H]-	236.18567	154.6
[M]+	215.21045	152.4
[M]-	215.21155	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe