CID 45413

N,n'-ethyl-n,n'-(beta-chloroethyl)ethylenediamine dihydrochloride

Structural Information

Molecular Formula
C10H22Cl2N2
SMILES
CCN(CCN(CC)CCCl)CCCl
InChI
InChI=1S/C10H22Cl2N2/c1-3-13(7-5-11)9-10-14(4-2)8-6-12/h3-10H2,1-2H3
InChIKey
ONOBHRPBWBEQEC-UHFFFAOYSA-N
Compound name
N,N'-bis(2-chloroethyl)-N,N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.116 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12328 159.1
[M+Na]+ 263.10522 164.4
[M-H]- 239.10872 160.5
[M+NH4]+ 258.14982 178.7
[M+K]+ 279.07916 161.7
[M+H-H2O]+ 223.11326 154.2
[M+HCOO]- 285.11420 174.9
[M+CH3COO]- 299.12985 204.2
[M+Na-2H]- 261.09067 161.4
[M]+ 240.11545 165.4
[M]- 240.11655 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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