CID 79826

4-methylpyridazine-3,6-diol

Structural Information

Molecular Formula
C5H6N2O2
SMILES
CC1=CC(=O)NNC1=O
InChI
InChI=1S/C5H6N2O2/c1-3-2-4(8)6-7-5(3)9/h2H,1H3,(H,6,8)(H,7,9)
InChIKey
QAVYOWFNXMHVEL-UHFFFAOYSA-N
Compound name
4-methyl-1,2-dihydropyridazine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

111
Patents

126.04293 Da
Monoisotopic Mass

-0.6
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

literature stripe

Patent stripe

patents stripe