CID 59116

101914-02-7

Structural Information

Molecular Formula

C₁₁H₂₃Cl₂N

SMILES

CCCCCCCN(CCCl)CCCl

InChI

InChI=1S/C11H23Cl2N/c1-2-3-4-5-6-9-14(10-7-12)11-8-13/h2-11H2,1H3

InChIKey

BTMHMHGENIGYAU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.12076 Da
Monoisotopic Mass: 4.3
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]+	240.12804	158.4
[M+Na]+	262.10998	164.0
[M-H]-	238.11348	158.2
[M+NH4]+	257.15458	177.8
[M+K]+	278.08392	159.7
[M+H-H2O]+	222.11802	154.0
[M+HCOO]-	284.11896	172.4
[M+CH3COO]-	298.13461	199.0
[M+Na-2H]-	260.09543	160.8
[M]+	239.12021	164.5
[M]-	239.12131	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.