CID 10679675

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

Structural Information

Molecular Formula
C5H6BrN3O
SMILES
CNC1=C(C(=O)NN=C1)Br
InChI
InChI=1S/C5H6BrN3O/c1-7-3-2-8-9-5(10)4(3)6/h2H,1H3,(H2,7,9,10)
InChIKey
BHSLLQWFBOQXGI-UHFFFAOYSA-N
Compound name
5-bromo-4-(methylamino)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.96942 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.976696 128.7
[M+Na]+ 225.958638 141.5
[M-H]- 201.962144 131.8
[M+NH4]+ 221.003243 148.2
[M+K]+ 241.932578 129.8
[M+H-H2O]+ 185.966680 127.8
[M+HCOO]- 247.967621 149.4
[M+CH3COO]- 261.983271 181.0
[M+Na-2H]- 223.944086 138.5
[M]+ 202.96887142 145.7
[M]- 202.96996858 145.7
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

No patent data available for this compound.