CID 200739

Propionamide, 2-(bis(2-chloroethyl)amino)-, hydrochloride

Structural Information

Molecular Formula

C₇H₁₄Cl₂N₂O

SMILES

C(CN(CCCl)CCCl)C(=O)N

InChI

InChI=1S/C7H14Cl2N2O/c8-2-5-11(6-3-9)4-1-7(10)12/h1-6H2,(H2,10,12)

InChIKey

PYUOKROHHVPSQX-UHFFFAOYSA-N

Compound name

3-[bis(2-chloroethyl)amino]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.04832 Da
Monoisotopic Mass: 0.3
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]+	213.055596	146.6
[M+Na]+	235.037538	153.0
[M-H]-	211.041044	146.8
[M+NH4]+	230.082143	166.3
[M+K]+	251.011478	149.7
[M+H-H2O]+	195.045580	142.7
[M+HCOO]-	257.046521	161.9
[M+CH3COO]-	271.062171	193.0
[M+Na-2H]-	233.022986	149.1
[M]+	212.04777142	149.7
[M]-	212.04886858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.