CID 20123

Ethylenediamine, n,n'-dimethyl-n,n'-dinitro-

Structural Information

Molecular Formula
C4H10N4O4
SMILES
CN(CCN(C)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C4H10N4O4/c1-5(7(9)10)3-4-6(2)8(11)12/h3-4H2,1-2H3
InChIKey
HCAOFVZKSOXNQN-UHFFFAOYSA-N
Compound name
N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.0702 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.077476 134.5
[M+Na]+ 201.059418 139.2
[M-H]- 177.062924 137.5
[M+NH4]+ 196.104023 190.5
[M+K]+ 217.033358 134.2
[M+H-H2O]+ 161.067460 137.3
[M+HCOO]- 223.068401 196.4
[M+CH3COO]- 237.084051 181.4
[M+Na-2H]- 199.044866 143.1
[M]+ 178.06965142 133.1
[M]- 178.07074858 133.1
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

patents stripe