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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05560 146.6
[M+Na]+ 235.03754 153.0
[M-H]- 211.04104 146.8
[M+NH4]+ 230.08214 166.3
[M+K]+ 251.01148 149.7
[M+H-H2O]+ 195.04558 142.7
[M+HCOO]- 257.04652 161.9
[M+CH3COO]- 271.06217 193.0
[M+Na-2H]- 233.02299 149.1
[M]+ 212.04777 149.7
[M]- 212.04887 149.7
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.