CID 26872

Ethanediamide, n,n'-dimethyl-n,n'-dinitro-

Structural Information

Molecular Formula
C4H6N4O6
SMILES
CN(C(=O)C(=O)N(C)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C4H6N4O6/c1-5(7(11)12)3(9)4(10)6(2)8(13)14/h1-2H3
InChIKey
DHNCWGKMISNJQG-UHFFFAOYSA-N
Compound name
N,N'-dimethyl-N,N'-dinitrooxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

206.02873 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03601 173.1
[M+Na]+ 229.01795 187.0
[M-H]- 205.02145 183.0
[M+NH4]+ 224.06255 185.8
[M+K]+ 244.99189 178.7
[M+H-H2O]+ 189.02599 139.2
[M+HCOO]- 251.02693 183.7
[M+CH3COO]- 265.04258 182.2
[M+Na-2H]- 227.00340 172.8
[M]+ 206.02818 167.0
[M]- 206.02928 167.0
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