CID 23519182

6-ethyl-3-pyridazinone

Structural Information

Molecular Formula
C6H8N2O
SMILES
CCC1=NNC(=O)C=C1
InChI
InChI=1S/C6H8N2O/c1-2-5-3-4-6(9)8-7-5/h3-4H,2H2,1H3,(H,8,9)
InChIKey
GXCQEJABMXDVRC-UHFFFAOYSA-N
Compound name
3-ethyl-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

536
Patents

124.06366 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 122.1
[M+Na]+ 147.052878 131.7
[M-H]- 123.056384 122.1
[M+NH4]+ 142.097483 141.3
[M+K]+ 163.026818 129.2
[M+H-H2O]+ 107.060920 115.6
[M+HCOO]- 169.061861 143.9
[M+CH3COO]- 183.077511 167.3
[M+Na-2H]- 145.038326 130.8
[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