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]+ 235.140086 198.8
[M+Na]+ 257.122028 210.8
[M-H]- 233.125534 201.9
[M+NH4]+ 252.166633 206.3
[M+K]+ 273.095968 151.1
[M+H-H2O]+ 217.130070 156.1
[M+HCOO]- 279.131011 210.8
[M+CH3COO]- 293.146661 193.2
[M+Na-2H]- 255.107476 160.6
[M]+ 234.13226142 192.3
[M]- 234.13335858 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.