CID 160198

31295-46-2

Structural Information

Molecular Formula

C₈H₂₃N₅

SMILES

C(CNCCN(CCN)CCN)N

InChI

InChI=1S/C8H23N5/c9-1-4-12-5-8-13(6-2-10)7-3-11/h12H,1-11H2

InChIKey

ZORWGXDYTKQJQG-UHFFFAOYSA-N

Compound name

N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 621
Patents: 189.19534 Da
Monoisotopic Mass: -3.0
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]+	190.202616	143.7
[M+Na]+	212.184558	145.9
[M-H]-	188.188064	143.2
[M+NH4]+	207.229163	161.4
[M+K]+	228.158498	145.7
[M+H-H2O]+	172.192600	136.0
[M+HCOO]-	234.193541	170.3
[M+CH3COO]-	248.209191	200.0
[M+Na-2H]-	210.170006	147.0
[M]+	189.19479142	139.8
[M]-	189.19588858	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe