CID 56766714

6-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,3,4,5-tetrahydropyridazin-3-one

Structural Information

Molecular Formula
C8H10N4O2
SMILES
CCC1=NOC(=N1)C2=NNC(=O)CC2
InChI
InChI=1S/C8H10N4O2/c1-2-6-9-8(14-12-6)5-3-4-7(13)11-10-5/h2-4H2,1H3,(H,11,13)
InChIKey
PQBCORDVTXTXRD-UHFFFAOYSA-N
Compound name
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08037 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08765 141.8
[M+Na]+ 217.06959 150.7
[M-H]- 193.07309 142.6
[M+NH4]+ 212.11419 155.5
[M+K]+ 233.04353 148.6
[M+H-H2O]+ 177.07763 132.8
[M+HCOO]- 239.07857 158.8
[M+CH3COO]- 253.09422 153.6
[M+Na-2H]- 215.05504 146.6
[M]+ 194.07982 140.4
[M]- 194.08092 140.4
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

No patent data available for this compound.