CID 5072536

2243507-80-2

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1=CC(=O)C(=NN1)C
InChI
InChI=1S/C6H8N2O/c1-4-3-6(9)5(2)8-7-4/h3H,1-2H3,(H,7,9)
InChIKey
TXMXLVSDMLQBGA-UHFFFAOYSA-N
Compound name
3,6-dimethyl-1H-pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

124.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 121.7
[M+Na]+ 147.052878 132.3
[M-H]- 123.056384 122.2
[M+NH4]+ 142.097483 141.3
[M+K]+ 163.026818 129.9
[M+H-H2O]+ 107.060920 115.6
[M+HCOO]- 169.061861 143.6
[M+CH3COO]- 183.077511 168.4
[M+Na-2H]- 145.038326 129.7
[M]+ 124.06311142 121.2
[M]- 124.06420858 121.2
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