CID 214165

2-butoxy-2',2''-dichlorotriethylamine hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₁Cl₂NO

SMILES

CCCCOCCN(CCCl)CCCl

InChI

InChI=1S/C10H21Cl2NO/c1-2-3-9-14-10-8-13(6-4-11)7-5-12/h2-10H2,1H3

InChIKey

RONSKYLSIAQKHX-UHFFFAOYSA-N

Compound name

2-butoxy-N,N-bis(2-chloroethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.10002 Da
Monoisotopic Mass: 2.5
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]+	242.107296	156.2
[M+Na]+	264.089238	162.2
[M-H]-	240.092744	156.3
[M+NH4]+	259.133843	175.5
[M+K]+	280.063178	158.7
[M+H-H2O]+	224.097280	151.9
[M+HCOO]-	286.098221	170.8
[M+CH3COO]-	300.113871	197.9
[M+Na-2H]-	262.074686	159.3
[M]+	241.09947142	163.5
[M]-	241.10056858	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.