CID 37272

1,6-hexanediamine, n,n'-dimethyl-n,n'-dinitro-

Structural Information

Molecular Formula
C8H18N4O4
SMILES
CN(CCCCCCN(C)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H18N4O4/c1-9(11(13)14)7-5-3-4-6-8-10(2)12(15)16/h3-8H2,1-2H3
InChIKey
KMVBHOHHJPWVJZ-UHFFFAOYSA-N
Compound name
N-methyl-N-[6-[methyl(nitro)amino]hexyl]nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13281 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14009 198.8
[M+Na]+ 257.12203 210.8
[M-H]- 233.12553 201.9
[M+NH4]+ 252.16663 206.3
[M+K]+ 273.09597 151.1
[M+H-H2O]+ 217.13007 156.1
[M+HCOO]- 279.13101 210.8
[M+CH3COO]- 293.14666 193.2
[M+Na-2H]- 255.10748 160.6
[M]+ 234.13226 192.3
[M]- 234.13336 192.3
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

No patent data available for this compound.