CID 3072539

143049-22-3

Structural Information

Molecular Formula
C10H7NO4
SMILES
C1=CC=C2C(=C1)C(=O)C(C(=O)N2)C(=O)O
InChI
InChI=1S/C10H7NO4/c12-8-5-3-1-2-4-6(5)11-9(13)7(8)10(14)15/h1-4,7H,(H,11,13)(H,14,15)
InChIKey
PMDZQLZFEIEEQF-UHFFFAOYSA-N
Compound name
2,4-dioxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

205.0375 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04478 139.1
[M+Na]+ 228.02672 147.7
[M-H]- 204.03022 139.9
[M+NH4]+ 223.07132 156.4
[M+K]+ 244.00066 144.2
[M+H-H2O]+ 188.03476 133.2
[M+HCOO]- 250.03570 156.3
[M+CH3COO]- 264.05135 180.4
[M+Na-2H]- 226.01217 144.0
[M]+ 205.03695 136.3
[M]- 205.03805 136.3
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