CID 418979

Pentylamine, n,n-bis(2-chloroethyl)-

Structural Information

Molecular Formula

C₉H₁₉Cl₂N

SMILES

CCCCCN(CCCl)CCCl

InChI

InChI=1S/C9H19Cl2N/c1-2-3-4-7-12(8-5-10)9-6-11/h2-9H2,1H3

InChIKey

KPPJKQKNRVSYKR-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)pentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.08946 Da
Monoisotopic Mass: 3.2
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]+	212.09674	149.2
[M+Na]+	234.07868	155.6
[M-H]-	210.08218	149.4
[M+NH4]+	229.12328	169.7
[M+K]+	250.05262	151.9
[M+H-H2O]+	194.08672	145.2
[M+HCOO]-	256.08766	163.8
[M+CH3COO]-	270.10331	193.2
[M+Na-2H]-	232.06413	152.7
[M]+	211.08891	154.5
[M]-	211.09001	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.