CID 87713

3-amino-6-methyl-4-pyridazinol

Structural Information

Molecular Formula
C5H7N3O
SMILES
CC1=CC(=O)C(=NN1)N
InChI
InChI=1S/C5H7N3O/c1-3-2-4(9)5(6)8-7-3/h2H,1H3,(H2,6,8)(H,7,9)
InChIKey
FRDSROCWJPLYFM-UHFFFAOYSA-N
Compound name
3-amino-6-methyl-1H-pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

125.058914 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 122.0
[M+Na]+ 148.04813 134.5
[M+NH4]+ 143.09274 129.3
[M+K]+ 164.02207 129.6
[M-H]- 124.05164 122.7
[M+Na-2H]- 146.03358 128.4
[M]+ 125.05837 123.7
[M]- 125.05946 123.7
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

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