CID 13136110

55901-95-6

Structural Information

Molecular Formula
C12H12N2O3
SMILES
COC1=C(C=C(C=C1)C2=NNC(=O)C=C2)OC
InChI
InChI=1S/C12H12N2O3/c1-16-10-5-3-8(7-11(10)17-2)9-4-6-12(15)14-13-9/h3-7H,1-2H3,(H,14,15)
InChIKey
ZHNHPPJSMFUHRS-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

232.0848 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 149.2
[M+Na]+ 255.07402 159.1
[M-H]- 231.07752 152.7
[M+NH4]+ 250.11862 163.9
[M+K]+ 271.04796 155.4
[M+H-H2O]+ 215.08206 140.7
[M+HCOO]- 277.08300 170.8
[M+CH3COO]- 291.09865 187.7
[M+Na-2H]- 253.05947 155.7
[M]+ 232.08425 151.4
[M]- 232.08535 151.4
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

patents stripe