CID 3042637

8-(2-(butylthio)ethoxy)quinoline

Structural Information

Molecular Formula

C₁₅H₁₉NOS

SMILES

CCCCSCCOC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C15H19NOS/c1-2-3-11-18-12-10-17-14-8-4-6-13-7-5-9-16-15(13)14/h4-9H,2-3,10-12H2,1H3

InChIKey

GODBCJHGNFEKTC-UHFFFAOYSA-N

Compound name

8-(2-butylsulfanylethoxy)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.11874 Da
Monoisotopic Mass: 3.8
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]+	262.12602	158.4
[M+Na]+	284.10796	165.9
[M-H]-	260.11146	161.0
[M+NH4]+	279.15256	175.7
[M+K]+	300.08190	161.3
[M+H-H2O]+	244.11600	150.9
[M+HCOO]-	306.11694	174.8
[M+CH3COO]-	320.13259	196.3
[M+Na-2H]-	282.09341	163.0
[M]+	261.11819	163.7
[M]-	261.11929	163.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.