CID 2810166

2166-33-8

Structural Information

Molecular Formula
C11H10N2O2
SMILES
COC1=CC=C(C=C1)C2=NNC(=O)C=C2
InChI
InChI=1S/C11H10N2O2/c1-15-9-4-2-8(3-5-9)10-6-7-11(14)13-12-10/h2-7H,1H3,(H,13,14)
InChIKey
HEKMSRLHSLEVMF-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

71
Patents

202.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 141.5
[M+Na]+ 225.063448 151.1
[M-H]- 201.066954 144.8
[M+NH4]+ 220.108053 157.3
[M+K]+ 241.037388 147.1
[M+H-H2O]+ 185.071490 133.3
[M+HCOO]- 247.072431 163.4
[M+CH3COO]- 261.088081 181.4
[M+Na-2H]- 223.048896 149.4
[M]+ 202.07368142 141.6
[M]- 202.07477858 141.6
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