CID 2727612

78157-26-3

Structural Information

Molecular Formula
C9H7N3O
SMILES
C1=CC(=O)NN=C1C2=CC=NC=C2
InChI
InChI=1S/C9H7N3O/c13-9-2-1-8(11-12-9)7-3-5-10-6-4-7/h1-6H,(H,12,13)
InChIKey
LPRDIYKZZIDTPV-UHFFFAOYSA-N
Compound name
3-pyridin-4-yl-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

57
Patents

173.05891 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06619 134.3
[M+Na]+ 196.04813 144.0
[M-H]- 172.05163 136.0
[M+NH4]+ 191.09273 149.6
[M+K]+ 212.02207 139.5
[M+H-H2O]+ 156.05617 125.6
[M+HCOO]- 218.05711 155.2
[M+CH3COO]- 232.07276 147.0
[M+Na-2H]- 194.03358 144.0
[M]+ 173.05836 132.3
[M]- 173.05946 132.3
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