CID 3063377

2-(bis(2-chloroethyl)amino)propionamide

Structural Information

Molecular Formula

C₇H₁₄Cl₂N₂O

SMILES

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

InChI

InChI=1S/C7H14Cl2N2O/c1-6(7(10)12)11(4-2-8)5-3-9/h6H,2-5H2,1H3,(H2,10,12)

InChIKey

SAARCXMPKFTYFD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 212.04832 Da
Monoisotopic Mass: 0.8
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]+	213.05560	146.7
[M+Na]+	235.03754	152.9
[M-H]-	211.04104	147.0
[M+NH4]+	230.08214	166.3
[M+K]+	251.01148	150.1
[M+H-H2O]+	195.04558	143.0
[M+HCOO]-	257.04652	161.1
[M+CH3COO]-	271.06217	193.9
[M+Na-2H]-	233.02299	148.0
[M]+	212.04777	149.2
[M]-	212.04887	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe