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]+ 244.06044 149.9
[M+Na]+ 266.04238 157.2
[M-H]- 242.04588 151.8
[M+NH4]+ 261.08698 165.8
[M+K]+ 282.01632 154.5
[M+H-H2O]+ 226.05042 142.9
[M+HCOO]- 288.05136 168.6
[M+CH3COO]- 302.06701 190.5
[M+Na-2H]- 264.02783 154.8
[M]+ 243.05261 150.9
[M]- 243.05371 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.