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

1
Patents

173.04768 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05496 131.5
[M+Na]+ 196.03690 142.3
[M-H]- 172.04040 135.5
[M+NH4]+ 191.08150 152.1
[M+K]+ 212.01084 139.3
[M+H-H2O]+ 156.04494 125.3
[M+HCOO]- 218.04588 153.8
[M+CH3COO]- 232.06153 180.5
[M+Na-2H]- 194.02235 139.5
[M]+ 173.04713 132.3
[M]- 173.04823 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