CID 59575

102585-25-1

Structural Information

Molecular Formula

C₈H₁₇Cl₂NO₂

SMILES

COC(CN(CCCl)CCCl)OC

InChI

InChI=1S/C8H17Cl2NO2/c1-12-8(13-2)7-11(5-3-9)6-4-10/h8H,3-7H2,1-2H3

InChIKey

NMWFEZUGIKLRBH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.06363 Da
Monoisotopic Mass: 1.3
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]+	230.070906	149.2
[M+Na]+	252.052848	155.8
[M-H]-	228.056354	149.9
[M+NH4]+	247.097453	169.0
[M+K]+	268.026788	153.8
[M+H-H2O]+	212.060890	145.4
[M+HCOO]-	274.061831	163.9
[M+CH3COO]-	288.077481	194.7
[M+Na-2H]-	250.038296	152.3
[M]+	229.06308142	156.7
[M]-	229.06417858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.