CID 16227542

2-(quinolin-8-yl)acetic acid

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

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

InChI

InChI=1S/C11H9NO2/c13-10(14)7-9-4-1-3-8-5-2-6-12-11(8)9/h1-6H,7H2,(H,13,14)

InChIKey

HXXDDZQNKIORGO-UHFFFAOYSA-N

Compound name

2-quinolin-8-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 187.06332 Da
Monoisotopic Mass: 2.5
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]+	188.070596	137.4
[M+Na]+	210.052538	145.9
[M-H]-	186.056044	139.4
[M+NH4]+	205.097143	156.1
[M+K]+	226.026478	142.6
[M+H-H2O]+	170.060580	130.8
[M+HCOO]-	232.061521	158.1
[M+CH3COO]-	246.077171	180.0
[M+Na-2H]-	208.037986	145.6
[M]+	187.06277142	137.4
[M]-	187.06386858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe