CID 200457

Dtxsid10943252

Structural Information

Molecular Formula
C6H7N3O4
SMILES
CC1=C(C(=O)C(=NN1O)C)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O4/c1-3-6(10)5(9(12)13)4(2)8(11)7-3/h11H,1-2H3
InChIKey
SAXLWTGEIJIPAS-UHFFFAOYSA-N
Compound name
1-hydroxy-3,6-dimethyl-5-nitropyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.04366 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.050936 132.0
[M+Na]+ 208.032878 142.9
[M-H]- 184.036384 133.4
[M+NH4]+ 203.077483 148.5
[M+K]+ 224.006818 137.1
[M+H-H2O]+ 168.040920 130.3
[M+HCOO]- 230.041861 155.3
[M+CH3COO]- 244.057511 174.0
[M+Na-2H]- 206.018326 140.2
[M]+ 185.04311142 132.4
[M]- 185.04420858 132.4
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.