CID 22766108

56600-94-3

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

C1=CC=C2C(=C1)C(=O)C=CN2CC(=O)O

InChI

InChI=1S/C11H9NO3/c13-10-5-6-12(7-11(14)15)9-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,15)

InChIKey

IVUSDAZOMBVFMI-UHFFFAOYSA-N

Compound name

2-(4-oxoquinolin-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6
Patents: 203.05824 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.06552	140.6
[M+Na]+	226.04746	154.5
[M+NH4]+	221.09206	148.3
[M+K]+	242.02140	148.5
[M-H]-	202.05096	141.7
[M+Na-2H]-	224.03291	147.0
[M]+	203.05769	142.8
[M]-	203.05879	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe