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]+ 201.10224 143.0
[M+Na]+ 223.08418 152.9
[M-H]- 199.08768 145.9
[M+NH4]+ 218.12878 163.8
[M+K]+ 239.05812 148.8
[M+H-H2O]+ 183.09222 135.7
[M+HCOO]- 245.09316 161.9
[M+CH3COO]- 259.10881 156.0
[M+Na-2H]- 221.06963 148.7
[M]+ 200.09441 142.3
[M]- 200.09551 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.