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 169.3
[M+Na]+ 312.07714 173.5
[M-H]- 288.08064 167.9
[M+NH4]+ 307.12174 185.8
[M+K]+ 328.05108 168.3
[M+H-H2O]+ 272.08518 164.9
[M+HCOO]- 334.08612 180.1
[M+CH3COO]- 348.10177 210.3
[M+Na-2H]- 310.06259 171.3
[M]+ 289.08737 173.4
[M]- 289.08847 173.4
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.