CID 493423

Bdbm50115585

Structural Information

Molecular Formula
C13H9NO4
SMILES
C1=CC=C2C(=C1)C(=CC=N2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C13H9NO4/c15-11(7-12(16)13(17)18)9-5-6-14-10-4-2-1-3-8(9)10/h1-6H,7H2,(H,17,18)
InChIKey
INJBDUOQPMZNKM-UHFFFAOYSA-N
Compound name
2,4-dioxo-4-quinolin-4-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.05316 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.060436 149.9
[M+Na]+ 266.042378 157.2
[M-H]- 242.045884 151.8
[M+NH4]+ 261.086983 165.8
[M+K]+ 282.016318 154.5
[M+H-H2O]+ 226.050420 142.9
[M+HCOO]- 288.051361 168.6
[M+CH3COO]- 302.067011 190.5
[M+Na-2H]- 264.027826 154.8
[M]+ 243.05261142 150.9
[M]- 243.05370858 150.9
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

No patent data available for this compound.