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]+ 200.06659 136.4
[M+Na]+ 222.04853 147.2
[M-H]- 198.05203 138.9
[M+NH4]+ 217.09313 153.1
[M+K]+ 238.02247 142.1
[M+H-H2O]+ 182.05657 134.2
[M+HCOO]- 244.05751 160.8
[M+CH3COO]- 258.07316 179.8
[M+Na-2H]- 220.03398 144.5
[M]+ 199.05876 138.9
[M]- 199.05986 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.