CID 409899

N,n'-bis(2-chloroethyl)-1,2-ethanediamine dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄Cl₂N₂

SMILES

C(CNCCCl)NCCCl

InChI

InChI=1S/C6H14Cl2N2/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-6H2

InChIKey

PKKFBHJRWBIQEX-UHFFFAOYSA-N

Compound name

N,N'-bis(2-chloroethyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 184.0534 Da
Monoisotopic Mass: 0.5
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]+	185.06068	139.8
[M+Na]+	207.04262	146.3
[M-H]-	183.04612	138.9
[M+NH4]+	202.08722	160.2
[M+K]+	223.01656	142.0
[M+H-H2O]+	167.05066	136.2
[M+HCOO]-	229.05160	155.8
[M+CH3COO]-	243.06725	185.5
[M+Na-2H]-	205.02807	145.7
[M]+	184.05285	141.9
[M]-	184.05395	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe