CID 45411

Ethylenediamine, n,n'-bis(2-chloroethyl)-n-(2-chloroethylaminoethyl)-, trihydrochloride

Structural Information

Molecular Formula
C10H22Cl3N3
SMILES
C(CN(CCNCCCl)CCCl)NCCCl
InChI
InChI=1S/C10H22Cl3N3/c11-1-4-14-6-9-16(8-3-13)10-7-15-5-2-12/h14-15H,1-10H2
InChIKey
CMEQSKVNBDYASJ-UHFFFAOYSA-N
Compound name
N,N'-bis(2-chloroethyl)-N'-[2-(2-chloroethylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.08792 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09520 165.3
[M+Na]+ 312.07714 173.9
[M+NH4]+ 307.12174 172.6
[M+K]+ 328.05108 165.8
[M-H]- 288.08064 166.1
[M+Na-2H]- 310.06259 168.5
[M]+ 289.08737 167.3
[M]- 289.08847 167.3
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.