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]+ 231.07642 148.4
[M+Na]+ 253.05836 164.1
[M+NH4]+ 248.10296 156.3
[M+K]+ 269.03230 157.9
[M-H]- 229.06186 154.2
[M+Na-2H]- 251.04381 155.7
[M]+ 230.06859 152.4
[M]- 230.06969 152.4
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.