CID 12196559

6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-ol

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1COC2=C(O1)C=CC(=C2)C3=NNC(=O)C=C3
InChI
InChI=1S/C12H10N2O3/c15-12-4-2-9(13-14-12)8-1-3-10-11(7-8)17-6-5-16-10/h1-4,7H,5-6H2,(H,14,15)
InChIKey
AFBVWGIDZFYWLV-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

230.06914 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.076416 148.0
[M+Na]+ 253.058358 156.8
[M-H]- 229.061864 152.9
[M+NH4]+ 248.102963 160.6
[M+K]+ 269.032298 154.7
[M+H-H2O]+ 213.066400 139.1
[M+HCOO]- 275.067341 164.7
[M+CH3COO]- 289.082991 160.0
[M+Na-2H]- 251.043806 157.5
[M]+ 230.06859142 147.0
[M]- 230.06968858 147.0
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

No patent data available for this compound.