CID 68153

3(2h)-pyridazinone

Structural Information

Molecular Formula
C4H4N2O
SMILES
C1=CC(=O)NN=C1
InChI
InChI=1S/C4H4N2O/c7-4-2-1-3-5-6-4/h1-3H,(H,6,7)
InChIKey
AAILEWXSEQLMNI-UHFFFAOYSA-N
Compound name
1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

22848
Patents

96.032364 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.039640 114.0
[M+Na]+ 119.02158 127.6
[M+NH4]+ 114.06619 122.2
[M+K]+ 134.99552 121.8
[M-H]- 95.025088 114.6
[M+Na-2H]- 117.00703 122.0
[M]+ 96.031815 115.9
[M]- 96.032913 115.9
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