CID 4415770

845264-90-6

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1CC2=CC=CC=C2N(C1)CC(=O)O

InChI

InChI=1S/C11H13NO2/c13-11(14)8-12-7-3-5-9-4-1-2-6-10(9)12/h1-2,4,6H,3,5,7-8H2,(H,13,14)

InChIKey

IBNYPYJMTVXJSZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 191.09464 Da
Monoisotopic Mass: 2.0
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]+	192.101916	140.5
[M+Na]+	214.083858	146.8
[M-H]-	190.087364	141.7
[M+NH4]+	209.128463	158.8
[M+K]+	230.057798	143.9
[M+H-H2O]+	174.091900	133.8
[M+HCOO]-	236.092841	158.2
[M+CH3COO]-	250.108491	180.7
[M+Na-2H]-	212.069306	146.6
[M]+	191.09409142	137.6
[M]-	191.09518858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe