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 136.9
[M+Na]+ 208.03288 146.1
[M-H]- 184.03638 137.9
[M+NH4]+ 203.07748 152.4
[M+K]+ 224.00682 136.3
[M+H-H2O]+ 168.04092 139.4
[M+HCOO]- 230.04186 159.8
[M+CH3COO]- 244.05751 168.5
[M+Na-2H]- 206.01833 147.4
[M]+ 185.04311 135.3
[M]- 185.04421 135.3
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