CID 25794

Methanediamine, n,n'-dimethyl-n,n'-dinitro-

Structural Information

Molecular Formula
C3H8N4O4
SMILES
CN(CN(C)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C3H8N4O4/c1-4(6(8)9)3-5(2)7(10)11/h3H2,1-2H3
InChIKey
QKVCTKJCIMPZEI-UHFFFAOYSA-N
Compound name
N-methyl-N-[[methyl(nitro)amino]methyl]nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

164.05455 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06183 129.6
[M+Na]+ 187.04377 134.7
[M-H]- 163.04727 132.7
[M+NH4]+ 182.08837 186.6
[M+K]+ 203.01771 129.9
[M+H-H2O]+ 147.05181 132.6
[M+HCOO]- 209.05275 192.8
[M+CH3COO]- 223.06840 178.4
[M+Na-2H]- 185.02922 138.7
[M]+ 164.05400 127.8
[M]- 164.05510 127.8
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.