CID 6410503

Pyridazine, 3,6-diethoxy-4-nitro-, 1-oxide

Structural Information

Molecular Formula
C8H11N3O5
SMILES
CCOC1=[N+](N=C(C(=C1)[N+](=O)[O-])OCC)[O-]
InChI
InChI=1S/C8H11N3O5/c1-3-15-7-5-6(11(13)14)8(16-4-2)9-10(7)12/h5H,3-4H2,1-2H3
InChIKey
OHRFURSULBYQHP-UHFFFAOYSA-N
Compound name
3,6-diethoxy-4-nitro-1-oxidopyridazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.06987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.07715 149.6
[M+Na]+ 252.05909 157.6
[M-H]- 228.06259 150.2
[M+NH4]+ 247.10369 163.2
[M+K]+ 268.03303 147.9
[M+H-H2O]+ 212.06713 151.4
[M+HCOO]- 274.06807 171.9
[M+CH3COO]- 288.08372 176.5
[M+Na-2H]- 250.04454 159.3
[M]+ 229.06932 149.9
[M]- 229.07042 149.9
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.