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]+ 199.086596 140.5
[M+Na]+ 221.068538 152.5
[M-H]- 197.072044 144.2
[M+NH4]+ 216.113143 161.6
[M+K]+ 237.042478 148.0
[M+H-H2O]+ 181.076580 133.3
[M+HCOO]- 243.077521 162.3
[M+CH3COO]- 257.093171 154.7
[M+Na-2H]- 219.053986 148.3
[M]+ 198.07877142 142.7
[M]- 198.07986858 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