CID 59573

102585-24-0

Structural Information

Molecular Formula

C₁₀H₂₁Cl₂NO₂

SMILES

CCOC(CN(CCCl)CCCl)OCC

InChI

InChI=1S/C10H21Cl2NO2/c1-3-14-10(15-4-2)9-13(7-5-11)8-6-12/h10H,3-9H2,1-2H3

InChIKey

GRWXPWFORDPFIZ-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)-2,2-diethoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.09494 Da
Monoisotopic Mass: 2.0
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]+	258.102216	158.5
[M+Na]+	280.084158	164.4
[M-H]-	256.087664	158.8
[M+NH4]+	275.128763	177.2
[M+K]+	296.058098	161.8
[M+H-H2O]+	240.092200	154.3
[M+HCOO]-	302.093141	172.6
[M+CH3COO]-	316.108791	200.5
[M+Na-2H]-	278.069606	160.5
[M]+	257.09439142	166.7
[M]-	257.09548858	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.