CID 12300225

6-methyl-5,8-dihydroquinoline-5,8-dione

Structural Information

Molecular Formula
C10H7NO2
SMILES
CC1=CC(=O)C2=C(C1=O)C=CC=N2
InChI
InChI=1S/C10H7NO2/c1-6-5-8(12)9-7(10(6)13)3-2-4-11-9/h2-5H,1H3
InChIKey
XXQAHBXLRFWCTG-UHFFFAOYSA-N
Compound name
6-methylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

173.04768 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.054956 131.5
[M+Na]+ 196.036898 142.3
[M-H]- 172.040404 135.5
[M+NH4]+ 191.081503 152.1
[M+K]+ 212.010838 139.3
[M+H-H2O]+ 156.044940 125.3
[M+HCOO]- 218.045881 153.8
[M+CH3COO]- 232.061531 180.5
[M+Na-2H]- 194.022346 139.5
[M]+ 173.04713142 132.3
[M]- 173.04822858 132.3
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

patents stripe