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 210.8
[M+Na]+ 249.03428 224.9
[M-H]- 225.03778 219.2
[M+NH4]+ 244.07888 219.6
[M+K]+ 265.00822 217.2
[M+H-H2O]+ 209.04232 190.7
[M+HCOO]- 271.04326 225.8
[M+CH3COO]- 285.05891 187.4
[M+Na-2H]- 247.01973 207.8
[M]+ 226.04451 199.2
[M]- 226.04561 199.2
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.