CID 58194

101198-07-6

Structural Information

Molecular Formula

C₁₁H₂₃Cl₂N

SMILES

CCCCN(CCCC)CC(CCl)Cl

InChI

InChI=1S/C11H23Cl2N/c1-3-5-7-14(8-6-4-2)10-11(13)9-12/h11H,3-10H2,1-2H3

InChIKey

JNSWUAFQXPZTOT-UHFFFAOYSA-N

Compound name

N-butyl-N-(2,3-dichloropropyl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.12076 Da
Monoisotopic Mass: 4.0
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]+	240.12804	158.5
[M+Na]+	262.10998	163.9
[M-H]-	238.11348	158.5
[M+NH4]+	257.15458	177.9
[M+K]+	278.08392	160.1
[M+H-H2O]+	222.11802	154.3
[M+HCOO]-	284.11896	171.6
[M+CH3COO]-	298.13461	199.8
[M+Na-2H]-	260.09543	159.8
[M]+	239.12021	164.1
[M]-	239.12131	164.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.