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]+ 215.11789 147.7
[M+Na]+ 237.09983 157.2
[M-H]- 213.10333 150.4
[M+NH4]+ 232.14443 167.9
[M+K]+ 253.07377 152.8
[M+H-H2O]+ 197.10787 140.2
[M+HCOO]- 259.10881 166.2
[M+CH3COO]- 273.12446 160.3
[M+Na-2H]- 235.08528 152.8
[M]+ 214.11006 147.3
[M]- 214.11116 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.