CID 161702

31295-49-5

Structural Information

Molecular Formula

C₁₀H₂₅N₅

SMILES

C1CN(CCN1)CCNCCNCCN

InChI

InChI=1S/C10H25N5/c11-1-2-12-3-4-13-5-8-15-9-6-14-7-10-15/h12-14H,1-11H2

InChIKey

LPOUQGUYVMSQOH-UHFFFAOYSA-N

Compound name

N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 736
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	150.9
[M+Na]+	238.20022	151.8
[M-H]-	214.20372	148.1
[M+NH4]+	233.24482	164.5
[M+K]+	254.17416	148.9
[M+H-H2O]+	198.20826	142.1
[M+HCOO]-	260.20920	169.2
[M+CH3COO]-	274.22485	192.7
[M+Na-2H]-	236.18567	155.6
[M]+	215.21045	142.9
[M]-	215.21155	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe