CID 39870975

6-(1h-1,2,4-triazol-1-yl)-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C6H5N5O
SMILES
C1=CC(=NNC1=O)N2C=NC=N2
InChI
InChI=1S/C6H5N5O/c12-6-2-1-5(9-10-6)11-4-7-3-8-11/h1-4H,(H,10,12)
InChIKey
BTKZKKIWOKIADT-UHFFFAOYSA-N
Compound name
3-(1,2,4-triazol-1-yl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

163.04941 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05669 131.2
[M+Na]+ 186.03863 142.1
[M-H]- 162.04213 130.7
[M+NH4]+ 181.08323 145.9
[M+K]+ 202.01257 138.4
[M+H-H2O]+ 146.04667 121.7
[M+HCOO]- 208.04761 151.1
[M+CH3COO]- 222.06326 143.8
[M+Na-2H]- 184.02408 139.3
[M]+ 163.04886 130.0
[M]- 163.04996 130.0
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