CID 3052620

Brn 0789782

Structural Information

Molecular Formula
C13H14N2O
SMILES
CCN1C(=O)CC2CC3=CC=CC=C3C2=N1
InChI
InChI=1S/C13H14N2O/c1-2-15-12(16)8-10-7-9-5-3-4-6-11(9)13(10)14-15/h3-6,10H,2,7-8H2,1H3
InChIKey
UNFQINHNXMYESU-UHFFFAOYSA-N
Compound name
2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 147.7
[M+Na]+ 237.099828 157.2
[M-H]- 213.103334 150.4
[M+NH4]+ 232.144433 167.9
[M+K]+ 253.073768 152.8
[M+H-H2O]+ 197.107870 140.2
[M+HCOO]- 259.108811 166.2
[M+CH3COO]- 273.124461 160.3
[M+Na-2H]- 235.085276 152.8
[M]+ 214.11006142 147.3
[M]- 214.11115858 147.3
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.