CID 687205

2166-32-7

Structural Information

Molecular Formula
C11H10N2O
SMILES
CC1=CC=C(C=C1)C2=NNC(=O)C=C2
InChI
InChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)10-6-7-11(14)13-12-10/h2-7H,1H3,(H,13,14)
InChIKey
LARMXWJBFDZFNL-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

22
Patents

186.07932 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.086596 138.3
[M+Na]+ 209.068538 148.1
[M-H]- 185.072044 141.6
[M+NH4]+ 204.113143 154.8
[M+K]+ 225.042478 143.4
[M+H-H2O]+ 169.076580 130.3
[M+HCOO]- 231.077521 159.9
[M+CH3COO]- 245.093171 151.4
[M+Na-2H]- 207.053986 146.2
[M]+ 186.07877142 137.0
[M]- 186.07986858 137.0
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

patents stripe