CID 200001

Nsc 17662

Structural Information

Molecular Formula

C₈H₁₇Cl₂NO₂

SMILES

CCOCC[N+](CCCl)(CCCl)[O-]

InChI

InChI=1S/C8H17Cl2NO2/c1-2-13-8-7-11(12,5-3-9)6-4-10/h2-8H2,1H3

InChIKey

PYXQCWXQOKUMOG-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)-2-ethoxyethanamine oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.06363 Da
Monoisotopic Mass: 1.1
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]+	230.07091	151.7
[M+Na]+	252.05285	158.2
[M-H]-	228.05635	150.5
[M+NH4]+	247.09745	170.6
[M+K]+	268.02679	150.5
[M+H-H2O]+	212.06089	153.5
[M+HCOO]-	274.06183	165.4
[M+CH3COO]-	288.07748	184.2
[M+Na-2H]-	250.03830	158.7
[M]+	229.06308	155.6
[M]-	229.06418	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.