CID 100612

5h-indeno(1,2-c)pyridazin-3-one, 2,3-dihydro-2-methyl-

Structural Information

Molecular Formula
C12H10N2O
SMILES
CN1C(=O)C=C2CC3=CC=CC=C3C2=N1
InChI
InChI=1S/C12H10N2O/c1-14-11(15)7-9-6-8-4-2-3-5-10(8)12(9)13-14/h2-5,7H,6H2,1H3
InChIKey
HSNQIVHKBYDSND-UHFFFAOYSA-N
Compound name
2-methyl-5H-indeno[1,2-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.07932 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08660 140.5
[M+Na]+ 221.06854 152.5
[M-H]- 197.07204 144.2
[M+NH4]+ 216.11314 161.6
[M+K]+ 237.04248 148.0
[M+H-H2O]+ 181.07658 133.3
[M+HCOO]- 243.07752 162.3
[M+CH3COO]- 257.09317 154.7
[M+Na-2H]- 219.05399 148.3
[M]+ 198.07877 142.7
[M]- 198.07987 142.7
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