CID 215329

1,1'-nitroiminobis(3-diazo-2-propanone)

Structural Information

Molecular Formula
C6H6N6O4
SMILES
C(C(=O)C=[N+]=[N-])N(CC(=O)C=[N+]=[N-])[N+](=O)[O-]
InChI
InChI=1S/C6H6N6O4/c7-9-1-5(13)3-11(12(15)16)4-6(14)2-10-8/h1-2H,3-4H2
InChIKey
BDYOHXBIKQLURK-UHFFFAOYSA-N
Compound name
N,N-bis(3-diazo-2-oxopropyl)nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04506 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05234 157.9
[M+Na]+ 249.03428 163.0
[M+NH4]+ 244.07888 166.2
[M+K]+ 265.00822 174.1
[M-H]- 225.03778 153.4
[M+Na-2H]- 247.01973 155.4
[M]+ 226.04451 159.4
[M]- 226.04561 159.4
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.