CID 5707079

83516-66-9

Structural Information

Molecular Formula
C13H12N2O
SMILES
CC1=CC=C(C=C1)/C=C/C2=NNC(=O)C=C2
InChI
InChI=1S/C13H12N2O/c1-10-2-4-11(5-3-10)6-7-12-8-9-13(16)15-14-12/h2-9H,1H3,(H,15,16)/b7-6+
InChIKey
PIAGLTZTUCTOFR-VOTSOKGWSA-N
Compound name
3-[(E)-2-(4-methylphenyl)ethenyl]-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

212.09496 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.102236 146.6
[M+Na]+ 235.084178 155.8
[M-H]- 211.087684 149.6
[M+NH4]+ 230.128783 162.0
[M+K]+ 251.058118 150.1
[M+H-H2O]+ 195.092220 138.3
[M+HCOO]- 257.093161 167.7
[M+CH3COO]- 271.108811 183.9
[M+Na-2H]- 233.069626 153.4
[M]+ 212.09441142 145.2
[M]- 212.09550858 145.2
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.