CID 13103636

13563-36-5

Structural Information

Molecular Formula
C5H7N3O
SMILES
CN1C(=O)C(=CC=N1)N
InChI
InChI=1S/C5H7N3O/c1-8-5(9)4(6)2-3-7-8/h2-3H,6H2,1H3
InChIKey
IYGZSLRPKFUJMR-UHFFFAOYSA-N
Compound name
4-amino-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

125.058914 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 121.5
[M+Na]+ 148.048132 132.1
[M-H]- 124.051638 123.0
[M+NH4]+ 143.092737 141.1
[M+K]+ 164.022072 130.3
[M+H-H2O]+ 108.056174 114.9
[M+HCOO]- 170.057115 145.6
[M+CH3COO]- 184.072765 172.2
[M+Na-2H]- 146.033580 129.8
[M]+ 125.05836542 120.8
[M]- 125.05946258 120.8
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