CID 58237

101258-60-0

Structural Information

Molecular Formula

C₇H₁₅Cl₂N

SMILES

CC(CN(C)CC(C)Cl)Cl

InChI

InChI=1S/C7H15Cl2N/c1-6(8)4-10(3)5-7(2)9/h6-7H,4-5H2,1-3H3

InChIKey

IUJRYJPRTQOEPQ-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-chloropropyl)-N-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 183.05815 Da
Monoisotopic Mass: 2.3
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]+	184.06543	139.5
[M+Na]+	206.04737	146.3
[M-H]-	182.05087	140.4
[M+NH4]+	201.09197	161.0
[M+K]+	222.02131	144.0
[M+H-H2O]+	166.05541	136.3
[M+HCOO]-	228.05635	152.9
[M+CH3COO]-	242.07200	188.9
[M+Na-2H]-	204.03282	141.8
[M]+	183.05760	143.0
[M]-	183.05870	143.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.