CID 13051762

4-oxo-4-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)butanoic acid

Structural Information

Molecular Formula
C13H13NO4
SMILES
C1CC(=O)NC2=C1C=C(C=C2)C(=O)CCC(=O)O
InChI
InChI=1S/C13H13NO4/c15-11(4-6-13(17)18)9-1-3-10-8(7-9)2-5-12(16)14-10/h1,3,7H,2,4-6H2,(H,14,16)(H,17,18)
InChIKey
ANWAKYZBSMSPFC-UHFFFAOYSA-N
Compound name
4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

247.08446 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 154.2
[M+Na]+ 270.07368 164.4
[M+NH4]+ 265.11828 160.0
[M+K]+ 286.04762 160.0
[M-H]- 246.07718 153.2
[M+Na-2H]- 268.05913 156.7
[M]+ 247.08391 154.9
[M]- 247.08501 154.9
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

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