CID 24177

Ethanol, 2-(8-quinolylthio)-

Structural Information

Molecular Formula

C₁₁H₁₁NOS

SMILES

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

InChI

InChI=1S/C11H11NOS/c13-7-8-14-10-5-1-3-9-4-2-6-12-11(9)10/h1-6,13H,7-8H2

InChIKey

KMGAMTBRYJXNOT-UHFFFAOYSA-N

Compound name

2-quinolin-8-ylsulfanylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.05614 Da
Monoisotopic Mass: 1.6
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]+	206.063416	140.4
[M+Na]+	228.045358	149.4
[M-H]-	204.048864	142.5
[M+NH4]+	223.089963	159.4
[M+K]+	244.019298	144.8
[M+H-H2O]+	188.053400	134.2
[M+HCOO]-	250.054341	156.7
[M+CH3COO]-	264.069991	153.1
[M+Na-2H]-	226.030806	146.8
[M]+	205.05559142	142.7
[M]-	205.05668858	142.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.