CID 17895398

227809-77-0

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

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

InChI

InChI=1S/C11H11NO/c13-7-5-9-3-4-11-10(8-9)2-1-6-12-11/h1-4,6,8,13H,5,7H2

InChIKey

BETRNBJUCZBYAI-UHFFFAOYSA-N

Compound name

2-quinolin-6-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 173.08406 Da
Monoisotopic Mass: 1.8
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]+	174.091336	135.1
[M+Na]+	196.073278	143.7
[M-H]-	172.076784	137.0
[M+NH4]+	191.117883	154.6
[M+K]+	212.047218	139.9
[M+H-H2O]+	156.081320	128.6
[M+HCOO]-	218.082261	156.4
[M+CH3COO]-	232.097911	177.9
[M+Na-2H]-	194.058726	144.5
[M]+	173.08351142	135.0
[M]-	173.08460858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe