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

1
Patents

178.0702 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07748 152.2
[M+Na]+ 201.05942 158.0
[M+NH4]+ 196.10402 160.5
[M+K]+ 217.03336 167.2
[M-H]- 177.06292 146.9
[M+Na-2H]- 199.04487 150.1
[M]+ 178.06965 153.5
[M]- 178.07075 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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