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]+ 126.06619 121.8
[M+Na]+ 148.04813 130.9
[M-H]- 124.05164 121.9
[M+NH4]+ 143.09274 140.6
[M+K]+ 164.02207 128.6
[M+H-H2O]+ 108.05617 115.1
[M+HCOO]- 170.05712 145.0
[M+CH3COO]- 184.07276 169.1
[M+Na-2H]- 146.03358 131.3
[M]+ 125.05837 119.8
[M]- 125.05946 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