CID 220785

5326-89-6

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

C1=CC2=C(C(=C1)OCC(=O)O)N=CC=C2

InChI

InChI=1S/C11H9NO3/c13-10(14)7-15-9-5-1-3-8-4-2-6-12-11(8)9/h1-6H,7H2,(H,13,14)

InChIKey

PNKYIZBUGAZUHQ-UHFFFAOYSA-N

Compound name

2-quinolin-8-yloxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 2961
Patents: 203.05824 Da
Monoisotopic Mass: 1.4
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	141.3
[M+Na]+	226.04746	154.8
[M+NH4]+	221.09206	149.3
[M+K]+	242.02140	148.7
[M-H]-	202.05096	142.6
[M+Na-2H]-	224.03291	148.1
[M]+	203.05769	143.5
[M]-	203.05879	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe