CID 6405305

3-methoxy-6-methyl-4-nitropyridazine 1-oxide

Structural Information

Molecular Formula
C6H7N3O4
SMILES
CC1=CC(=C(N=[N+]1[O-])OC)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O4/c1-4-3-5(9(11)12)6(13-2)7-8(4)10/h3H,1-2H3
InChIKey
QSZDOGLESFAOQS-UHFFFAOYSA-N
Compound name
3-methoxy-6-methyl-4-nitro-1-oxidopyridazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

185.04366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05094 138.1
[M+Na]+ 208.03288 153.1
[M+NH4]+ 203.07748 145.1
[M+K]+ 224.00682 152.7
[M-H]- 184.03638 140.6
[M+Na-2H]- 206.01833 143.3
[M]+ 185.04311 140.7
[M]- 185.04421 140.7
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

patents stripe