CID 59591

2-(n-(2-chloroethyl)-n-(2-chloropropyl)amino)acetamide monohydrochloride

Structural Information

Molecular Formula
C7H14Cl2N2O
SMILES
CC(CN(CCCl)CC(=O)N)Cl
InChI
InChI=1S/C7H14Cl2N2O/c1-6(9)4-11(3-2-8)5-7(10)12/h6H,2-5H2,1H3,(H2,10,12)
InChIKey
QVPDZTDSBXMVOO-UHFFFAOYSA-N
Compound name
2-[2-chloroethyl(2-chloropropyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.04832 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.055596 146.7
[M+Na]+ 235.037538 152.9
[M-H]- 211.041044 147.0
[M+NH4]+ 230.082143 166.3
[M+K]+ 251.011478 150.1
[M+H-H2O]+ 195.045580 143.0
[M+HCOO]- 257.046521 161.1
[M+CH3COO]- 271.062171 193.9
[M+Na-2H]- 233.022986 148.0
[M]+ 212.04777142 149.2
[M]- 212.04886858 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.