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]+ 203.97670 128.7
[M+Na]+ 225.95864 141.5
[M-H]- 201.96214 131.8
[M+NH4]+ 221.00324 148.2
[M+K]+ 241.93258 129.8
[M+H-H2O]+ 185.96668 127.8
[M+HCOO]- 247.96762 149.4
[M+CH3COO]- 261.98327 181.0
[M+Na-2H]- 223.94409 138.5
[M]+ 202.96887 145.7
[M]- 202.96997 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.