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 190.9
[M+Na]+ 317.07040 202.9
[M-H]- 293.07390 200.6
[M+NH4]+ 312.11500 204.6
[M+K]+ 333.04434 196.1
[M+H-H2O]+ 277.07844 180.2
[M+HCOO]- 339.07938 199.2
[M+CH3COO]- 353.09503 198.6
[M+Na-2H]- 315.05585 188.0
[M]+ 294.08063 183.5
[M]- 294.08173 183.5
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.