CID 3052618

Brn 0917670

Structural Information

Molecular Formula
C12H9N3O
SMILES
C1C2CC(=O)NN=C2C3=C1C=C(C=C3)C#N
InChI
InChI=1S/C12H9N3O/c13-6-7-1-2-10-8(3-7)4-9-5-11(16)14-15-12(9)10/h1-3,9H,4-5H2,(H,14,16)
InChIKey
CNTUYZBHRIWIQJ-UHFFFAOYSA-N
Compound name
3-oxo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

211.07455 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08183 151.3
[M+Na]+ 234.06377 163.5
[M+NH4]+ 229.10837 156.3
[M+K]+ 250.03771 154.9
[M-H]- 210.06727 145.1
[M+Na-2H]- 232.04922 152.7
[M]+ 211.07400 150.3
[M]- 211.07510 150.3
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

patents stripe