CID 121552559

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

Structural Information

Molecular Formula
C10H8INO2
SMILES
CN1C(=O)CC(=O)C2=C1C=C(C=C2)I
InChI
InChI=1S/C10H8INO2/c1-12-8-4-6(11)2-3-7(8)9(13)5-10(12)14/h2-4H,5H2,1H3
InChIKey
PRQFLCFUUHGWKW-UHFFFAOYSA-N
Compound name
7-iodo-1-methylquinoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.96 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.96728 139.9
[M+Na]+ 323.94922 142.9
[M-H]- 299.95272 136.5
[M+NH4]+ 318.99382 154.7
[M+K]+ 339.92316 145.9
[M+H-H2O]+ 283.95726 130.2
[M+HCOO]- 345.95820 155.5
[M+CH3COO]- 359.97385 193.3
[M+Na-2H]- 321.93467 134.3
[M]+ 300.95945 137.2
[M]- 300.96055 137.2
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.