CID 89687

6-methyl-3,4-pyridazinediol

Structural Information

Molecular Formula
C5H6N2O2
SMILES
CC1=CC(=O)C(=O)NN1
InChI
InChI=1S/C5H6N2O2/c1-3-2-4(8)5(9)7-6-3/h2H,1H3,(H,6,8)(H,7,9)
InChIKey
OXQHGCWVMOLOBC-UHFFFAOYSA-N
Compound name
6-methyl-1,2-dihydropyridazine-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

126.04293 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.050206 120.5
[M+Na]+ 149.032148 131.3
[M-H]- 125.035654 119.7
[M+NH4]+ 144.076753 139.1
[M+K]+ 165.006088 128.0
[M+H-H2O]+ 109.040190 114.7
[M+HCOO]- 171.041131 141.6
[M+CH3COO]- 185.056781 164.1
[M+Na-2H]- 147.017596 128.4
[M]+ 126.04238142 118.5
[M]- 126.04347858 118.5
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