CID 188914

Bd-1047

Structural Information

Molecular Formula

C₁₃H₂₀Cl₂N₂

SMILES

CN(C)CCN(C)CCC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C13H20Cl2N2/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11/h4-5,10H,6-9H2,1-3H3

InChIKey

MGVRNMUKTZOQOW-UHFFFAOYSA-N

Compound name

N'-[2-(3,4-dichlorophenyl)ethyl]-N,N,N'-trimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 131
References: 119
Patents: 274.10034 Da
Monoisotopic Mass: 3.5
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]+	275.10762	162.6
[M+Na]+	297.08956	175.6
[M+NH4]+	292.13416	171.8
[M+K]+	313.06350	167.1
[M-H]-	273.09306	166.8
[M+Na-2H]-	295.07501	169.6
[M]+	274.09979	166.3
[M]-	274.10089	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe