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

85
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

literature stripe

Patent stripe

patents stripe