CID 59570

2-[bis(2-chloroethyl)amino]acetaldehyde

Structural Information

Molecular Formula

C₆H₁₁Cl₂NO

SMILES

C(CCl)N(CCCl)CC=O

InChI

InChI=1S/C6H11Cl2NO/c7-1-3-9(4-2-8)5-6-10/h6H,1-5H2

InChIKey

DXUPIHNYYBFLCJ-UHFFFAOYSA-N

Compound name

2-[bis(2-chloroethyl)amino]acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.02177 Da
Monoisotopic Mass: 1.0
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]+	184.02905	134.6
[M+Na]+	206.01099	145.9
[M+NH4]+	201.05559	143.1
[M+K]+	221.98493	138.9
[M-H]-	182.01449	134.9
[M+Na-2H]-	203.99644	139.3
[M]+	183.02122	136.7
[M]-	183.02232	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.