CID 3044626

Brn 0746469

Structural Information

Molecular Formula
C7H9N3O4
SMILES
CC1=C(C(=O)C(=NN1OC)C)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O4/c1-4-7(11)6(10(12)13)5(2)9(8-4)14-3/h1-3H3
InChIKey
NMGSFSPSTIIHLA-UHFFFAOYSA-N
Compound name
1-methoxy-3,6-dimethyl-5-nitropyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.05931 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.066586 136.4
[M+Na]+ 222.048528 147.2
[M-H]- 198.052034 138.9
[M+NH4]+ 217.093133 153.1
[M+K]+ 238.022468 142.1
[M+H-H2O]+ 182.056570 134.2
[M+HCOO]- 244.057511 160.8
[M+CH3COO]- 258.073161 179.8
[M+Na-2H]- 220.033976 144.5
[M]+ 199.05876142 138.9
[M]- 199.05985858 138.9
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.