CID 18332970

61164-71-4

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

C1C(C(=O)NC2=CC=CC=C21)CC(=O)O

InChI

InChI=1S/C11H11NO3/c13-10(14)6-8-5-7-3-1-2-4-9(7)12-11(8)15/h1-4,8H,5-6H2,(H,12,15)(H,13,14)

InChIKey

VOOBKBWATCPJRK-UHFFFAOYSA-N

Compound name

2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 205.0739 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]+	206.081176	142.5
[M+Na]+	228.063118	149.6
[M-H]-	204.066624	142.7
[M+NH4]+	223.107723	159.7
[M+K]+	244.037058	145.8
[M+H-H2O]+	188.071160	136.3
[M+HCOO]-	250.072101	159.1
[M+CH3COO]-	264.087751	180.7
[M+Na-2H]-	226.048566	147.5
[M]+	205.07335142	138.9
[M]-	205.07444858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe