CID 451406

8-methoxyquinoline-5,6-dione

Structural Information

Molecular Formula
C10H7NO3
SMILES
COC1=CC(=O)C(=O)C2=C1N=CC=C2
InChI
InChI=1S/C10H7NO3/c1-14-8-5-7(12)10(13)6-3-2-4-11-9(6)8/h2-5H,1H3
InChIKey
UWHWSMFMDDRMHA-UHFFFAOYSA-N
Compound name
8-methoxyquinoline-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

189.04259 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 134.6
[M+Na]+ 212.03181 145.3
[M-H]- 188.03531 138.6
[M+NH4]+ 207.07641 154.4
[M+K]+ 228.00575 142.9
[M+H-H2O]+ 172.03985 128.1
[M+HCOO]- 234.04079 157.1
[M+CH3COO]- 248.05644 182.7
[M+Na-2H]- 210.01726 142.7
[M]+ 189.04204 136.9
[M]- 189.04314 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.