CID 21691755

5-(methylamino)-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C5H7N3O
SMILES
CNC1=CC(=O)NN=C1
InChI
InChI=1S/C5H7N3O/c1-6-4-2-5(9)8-7-3-4/h2-3H,1H3,(H2,6,8,9)
InChIKey
JMVBKLJRNKZSJK-UHFFFAOYSA-N
Compound name
4-(methylamino)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

125.058914 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 121.8
[M+Na]+ 148.048132 130.9
[M-H]- 124.051638 121.9
[M+NH4]+ 143.092737 140.6
[M+K]+ 164.022072 128.6
[M+H-H2O]+ 108.056174 115.1
[M+HCOO]- 170.057115 145.0
[M+CH3COO]- 184.072765 169.1
[M+Na-2H]- 146.033580 131.3
[M]+ 125.05836542 119.8
[M]- 125.05946258 119.8
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