CID 3077487

Brn 4841299

Structural Information

Molecular Formula

C₁₁H₁₇NS

SMILES

CCC(C)SCCC1=CC=NC=C1

InChI

InChI=1S/C11H17NS/c1-3-10(2)13-9-6-11-4-7-12-8-5-11/h4-5,7-8,10H,3,6,9H2,1-2H3

InChIKey

ZUILQCLQZCJPRW-UHFFFAOYSA-N

Compound name

4-(2-butan-2-ylsulfanylethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.10817 Da
Monoisotopic Mass: 3.1
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]+	196.11545	143.9
[M+Na]+	218.09739	156.4
[M+NH4]+	213.14199	153.2
[M+K]+	234.07133	146.8
[M-H]-	194.10089	146.5
[M+Na-2H]-	216.08284	150.5
[M]+	195.10762	147.0
[M]-	195.10872	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.