CID 3063371

2,4,4a,9-tetrahydro-3h-indeno(2,1-c)pyridazin-3-one

Structural Information

Molecular Formula
C11H10N2O
SMILES
C1C2C(=NNC1=O)CC3=CC=CC=C23
InChI
InChI=1S/C11H10N2O/c14-11-6-9-8-4-2-1-3-7(8)5-10(9)12-13-11/h1-4,9H,5-6H2,(H,13,14)
InChIKey
NSLWKAHYUAHLNR-UHFFFAOYSA-N
Compound name
2,4,4a,9-tetrahydroindeno[2,1-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.07932 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 138.4
[M+Na]+ 209.06854 147.5
[M-H]- 185.07204 139.8
[M+NH4]+ 204.11314 158.8
[M+K]+ 225.04248 142.7
[M+H-H2O]+ 169.07658 131.4
[M+HCOO]- 231.07752 156.2
[M+CH3COO]- 245.09317 150.9
[M+Na-2H]- 207.05399 145.0
[M]+ 186.07877 135.2
[M]- 186.07987 135.2
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.