CID 3052619

69099-77-0

Structural Information

Molecular Formula
C12H12N2O
SMILES
CN1C(=O)CC2CC3=CC=CC=C3C2=N1
InChI
InChI=1S/C12H12N2O/c1-14-11(15)7-9-6-8-4-2-3-5-10(8)12(9)13-14/h2-5,9H,6-7H2,1H3
InChIKey
MOIXSXYCDMIXJG-UHFFFAOYSA-N
Compound name
2-methyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

200.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 143.0
[M+Na]+ 223.084178 152.9
[M-H]- 199.087684 145.9
[M+NH4]+ 218.128783 163.8
[M+K]+ 239.058118 148.8
[M+H-H2O]+ 183.092220 135.7
[M+HCOO]- 245.093161 161.9
[M+CH3COO]- 259.108811 156.0
[M+Na-2H]- 221.069626 148.7
[M]+ 200.09441142 142.3
[M]- 200.09550858 142.3
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

No patent data available for this compound.