CID 151560

58855-36-0

Structural Information

Molecular Formula

C₁₁H₁₁NO₄

SMILES

C1CC(=O)NC2=C1C(=CC=C2)OCC(=O)O

InChI

InChI=1S/C11H11NO4/c13-10-5-4-7-8(12-10)2-1-3-9(7)16-6-11(14)15/h1-3H,4-6H2,(H,12,13)(H,14,15)

InChIKey

CYPKANIKIWLVMF-UHFFFAOYSA-N

Compound name

2-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2664
Patents: 221.0688 Da
Monoisotopic Mass: 0.6
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]+	222.07608	145.2
[M+Na]+	244.05802	152.0
[M-H]-	220.06152	145.3
[M+NH4]+	239.10262	161.6
[M+K]+	260.03196	148.9
[M+H-H2O]+	204.06606	138.7
[M+HCOO]-	266.06700	161.9
[M+CH3COO]-	280.08265	183.0
[M+Na-2H]-	242.04347	150.2
[M]+	221.06825	143.0
[M]-	221.06935	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe