CID 3063372

3h-indeno(2,1-c)pyridazin-3-one, 2,9-dihydro-

Structural Information

Molecular Formula
C11H8N2O
SMILES
C1C2=CC=CC=C2C3=CC(=O)NN=C31
InChI
InChI=1S/C11H8N2O/c14-11-6-9-8-4-2-1-3-7(8)5-10(9)12-13-11/h1-4,6H,5H2,(H,13,14)
InChIKey
RBKCMQDUWRRYJS-UHFFFAOYSA-N
Compound name
2,9-dihydroindeno[2,1-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.070936 135.8
[M+Na]+ 207.052878 147.0
[M-H]- 183.056384 138.0
[M+NH4]+ 202.097483 156.5
[M+K]+ 223.026818 141.8
[M+H-H2O]+ 167.060920 129.0
[M+HCOO]- 229.061861 156.6
[M+CH3COO]- 243.077511 149.5
[M+Na-2H]- 205.038326 144.5
[M]+ 184.06311142 135.5
[M]- 184.06420858 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.