CID 84237

14173-62-7

Structural Information

Molecular Formula
C8H14N6O10
SMILES
CC(=O)OCN(CN(CN(COC(=O)C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H14N6O10/c1-7(15)23-5-10(13(19)20)3-9(12(17)18)4-11(14(21)22)6-24-8(2)16/h3-6H2,1-2H3
InChIKey
CHBKPOAEXQUKHL-UHFFFAOYSA-N
Compound name
[[[acetyloxymethyl(nitro)amino]methyl-nitroamino]methyl-nitroamino]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

354.07715 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08443 209.7
[M+Na]+ 377.06637 220.8
[M-H]- 353.06987 224.4
[M+NH4]+ 372.11097 226.7
[M+K]+ 393.04031 216.6
[M+H-H2O]+ 337.07441 192.6
[M+HCOO]- 399.07535 212.4
[M+CH3COO]- 413.09100 208.1
[M+Na-2H]- 375.05182 207.1
[M]+ 354.07660 197.5
[M]- 354.07770 197.5
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.