CID 215315

Pyridazine, 4,6-dinitro-3-methoxy-, 1-oxide

Structural Information

Molecular Formula
C5H4N4O6
SMILES
COC1=N[N+](=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-]
InChI
InChI=1S/C5H4N4O6/c1-15-5-3(8(11)12)2-4(9(13)14)7(10)6-5/h2H,1H3
InChIKey
GCBFEKOPFMITSV-UHFFFAOYSA-N
Compound name
3-methoxy-4,6-dinitro-1-oxidopyridazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.01308 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02036 145.5
[M+Na]+ 239.00230 152.7
[M-H]- 215.00580 146.5
[M+NH4]+ 234.04690 157.6
[M+K]+ 254.97624 139.5
[M+H-H2O]+ 199.01034 151.2
[M+HCOO]- 261.01128 167.9
[M+CH3COO]- 275.02693 170.5
[M+Na-2H]- 236.98775 157.4
[M]+ 216.01253 141.5
[M]- 216.01363 141.5
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.