CID 3038042

Brn 1808347

Structural Information

Molecular Formula
C8H14N4O8
SMILES
CC(=O)OCN(CCN(COC(=O)C)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H14N4O8/c1-7(13)19-5-9(11(15)16)3-4-10(12(17)18)6-20-8(2)14/h3-6H2,1-2H3
InChIKey
SXZTWGYZCGQTPL-UHFFFAOYSA-N
Compound name
[2-[acetyloxymethyl(nitro)amino]ethyl-nitroamino]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.08118 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08846 171.6
[M+Na]+ 317.07040 177.6
[M+NH4]+ 312.11500 180.4
[M+K]+ 333.04434 187.3
[M-H]- 293.07390 167.4
[M+Na-2H]- 315.05585 168.7
[M]+ 294.08063 173.6
[M]- 294.08173 173.6
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.