CID 13979278

42443-04-9

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CC(=O)N1CCCC2=C1C=CC(=C2)O

InChI

InChI=1S/C11H13NO2/c1-8(13)12-6-2-3-9-7-10(14)4-5-11(9)12/h4-5,7,14H,2-3,6H2,1H3

InChIKey

LVLHMCKNLKOGLT-UHFFFAOYSA-N

Compound name

1-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 191.09464 Da
Monoisotopic Mass: 1.3
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	147.9
[M-H]-	190.087364	142.2
[M+NH4]+	209.128463	159.3
[M+K]+	230.057798	145.1
[M+H-H2O]+	174.091900	134.2
[M+HCOO]-	236.092841	158.2
[M+CH3COO]-	250.108491	181.2
[M+Na-2H]-	212.069306	145.9
[M]+	191.09409142	137.9
[M]-	191.09518858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe