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

5
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

literature stripe

Patent stripe

patents stripe