CID 28065109

5-(pyrrolidin-1-yl)-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C8H11N3O
SMILES
C1CCN(C1)C2=CC(=O)NN=C2
InChI
InChI=1S/C8H11N3O/c12-8-5-7(6-9-10-8)11-3-1-2-4-11/h5-6H,1-4H2,(H,10,12)
InChIKey
RMLQAKYTNNQTME-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-yl-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

165.09021 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 134.0
[M+Na]+ 188.07943 141.8
[M-H]- 164.08293 135.2
[M+NH4]+ 183.12403 151.3
[M+K]+ 204.05337 138.7
[M+H-H2O]+ 148.08747 125.5
[M+HCOO]- 210.08841 153.1
[M+CH3COO]- 224.10406 146.2
[M+Na-2H]- 186.06488 139.2
[M]+ 165.08966 129.6
[M]- 165.09076 129.6
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