CID 4102778

1-methyl-1,2,3,4-tetrahydroquinoline-2,4-dione

Structural Information

Molecular Formula
C10H9NO2
SMILES
CN1C(=O)CC(=O)C2=CC=CC=C21
InChI
InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-5H,6H2,1H3
InChIKey
CLYBXZIOLFPNSX-UHFFFAOYSA-N
Compound name
1-methylquinoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

175.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.1
[M+Na]+ 198.05254 142.8
[M-H]- 174.05604 136.7
[M+NH4]+ 193.09714 153.5
[M+K]+ 214.02648 140.1
[M+H-H2O]+ 158.06058 126.9
[M+HCOO]- 220.06152 153.9
[M+CH3COO]- 234.07717 180.9
[M+Na-2H]- 196.03799 140.1
[M]+ 175.06277 132.5
[M]- 175.06387 132.5
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

patents stripe