CID 100611

5h-indeno[1,2-c]pyridazine

Structural Information

Molecular Formula
C11H8N2
SMILES
C1C2=C(C3=CC=CC=C31)N=NC=C2
InChI
InChI=1S/C11H8N2/c1-2-4-10-8(3-1)7-9-5-6-12-13-11(9)10/h1-6H,7H2
InChIKey
GWWZVIMKMOOSKO-UHFFFAOYSA-N
Compound name
5H-indeno[1,2-c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

168.06874 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.076016 132.5
[M+Na]+ 191.057958 143.0
[M-H]- 167.061464 135.6
[M+NH4]+ 186.102563 154.3
[M+K]+ 207.031898 138.8
[M+H-H2O]+ 151.066000 125.1
[M+HCOO]- 213.066941 154.4
[M+CH3COO]- 227.082591 146.6
[M+Na-2H]- 189.043406 142.4
[M]+ 168.06819142 132.9
[M]- 168.06928858 132.9
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