CID 17895398

2-(quinolin-6-yl)ethanol

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]+	174.09134	135.1
[M+Na]+	196.07328	143.7
[M-H]-	172.07678	137.0
[M+NH4]+	191.11788	154.6
[M+K]+	212.04722	139.9
[M+H-H2O]+	156.08132	128.6
[M+HCOO]-	218.08226	156.4
[M+CH3COO]-	232.09791	177.9
[M+Na-2H]-	194.05873	144.5
[M]+	173.08351	135.0
[M]-	173.08461	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe