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

11
Patents

185.04366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.050936 136.9
[M+Na]+ 208.032878 146.1
[M-H]- 184.036384 137.9
[M+NH4]+ 203.077483 152.4
[M+K]+ 224.006818 136.3
[M+H-H2O]+ 168.040920 139.4
[M+HCOO]- 230.041861 159.8
[M+CH3COO]- 244.057511 168.5
[M+Na-2H]- 206.018326 147.4
[M]+ 185.04311142 135.3
[M]- 185.04420858 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