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	136.5
[M+Na]+	206.01099	144.4
[M-H]-	182.01449	137.3
[M+NH4]+	201.05559	158.0
[M+K]+	221.98493	141.4
[M+H-H2O]+	166.01903	133.1
[M+HCOO]-	228.01997	152.6
[M+CH3COO]-	242.03562	185.2
[M+Na-2H]-	203.99644	141.8
[M]+	183.02122	141.5
[M]-	183.02232	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.