CID 200666

Acetamide, 2-(bis(2-chloroethyl)amino)-

Structural Information

Molecular Formula

C₆H₁₂Cl₂N₂O

SMILES

C(CCl)N(CCCl)CC(=O)N

InChI

InChI=1S/C6H12Cl2N2O/c7-1-3-10(4-2-8)5-6(9)11/h1-5H2,(H2,9,11)

InChIKey

UIUAGJLYQBSJSL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 198.03267 Da
Monoisotopic Mass: 0.4
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]+	199.03995	142.0
[M+Na]+	221.02189	148.8
[M-H]-	197.02539	142.4
[M+NH4]+	216.06649	162.2
[M+K]+	236.99583	145.8
[M+H-H2O]+	181.02993	138.3
[M+HCOO]-	243.03087	157.6
[M+CH3COO]-	257.04652	190.1
[M+Na-2H]-	219.00734	145.0
[M]+	198.03212	144.7
[M]-	198.03322	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe