CID 100609

2h,3h,5h-indeno[1,2-c]pyridazin-3-one

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

184.06366 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe