CID 451421

113361-36-7

Structural Information

Molecular Formula
C12H11NO3
SMILES
CCOC1=C(C(=O)C(=O)C2=C1N=CC=C2)C
InChI
InChI=1S/C12H11NO3/c1-3-16-12-7(2)10(14)11(15)8-5-4-6-13-9(8)12/h4-6H,3H2,1-2H3
InChIKey
FXKOKNWZODELNW-UHFFFAOYSA-N
Compound name
8-ethoxy-7-methylquinoline-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 143.7
[M+Na]+ 240.06312 154.4
[M-H]- 216.06662 147.7
[M+NH4]+ 235.10772 162.6
[M+K]+ 256.03706 151.5
[M+H-H2O]+ 200.07116 137.0
[M+HCOO]- 262.07210 165.4
[M+CH3COO]- 276.08775 189.9
[M+Na-2H]- 238.04857 149.9
[M]+ 217.07335 147.0
[M]- 217.07445 147.0
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.