CID 210157

Pyridine, 4-(2-(propylthio)ethyl)-

Structural Information

Molecular Formula

C₁₀H₁₅NS

SMILES

CCCSCCC1=CC=NC=C1

InChI

InChI=1S/C10H15NS/c1-2-8-12-9-5-10-3-6-11-7-4-10/h3-4,6-7H,2,5,8-9H2,1H3

InChIKey

GZPXNKSJZQYKFX-UHFFFAOYSA-N

Compound name

4-(2-propylsulfanylethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 181.09251 Da
Monoisotopic Mass: 2.7
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]+	182.09979	138.0
[M+Na]+	204.08173	145.5
[M-H]-	180.08523	140.1
[M+NH4]+	199.12633	157.5
[M+K]+	220.05567	142.4
[M+H-H2O]+	164.08977	131.4
[M+HCOO]-	226.09071	155.8
[M+CH3COO]-	240.10636	181.0
[M+Na-2H]-	202.06718	142.3
[M]+	181.09196	141.0
[M]-	181.09306	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe