CID 3077486

Brn 4799942

Structural Information

Molecular Formula

C₁₀H₁₅NS

SMILES

CC(C)SCCC1=CC=NC=C1

InChI

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

InChIKey

LKSIVBFOLHIEAR-UHFFFAOYSA-N

Compound name

4-(2-propan-2-ylsulfanylethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 181.09251 Da
Monoisotopic Mass: 2.2
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]+	182.099786	138.5
[M+Na]+	204.081728	145.6
[M-H]-	180.085234	140.7
[M+NH4]+	199.126333	157.9
[M+K]+	220.055668	143.0
[M+H-H2O]+	164.089770	132.0
[M+HCOO]-	226.090711	155.2
[M+CH3COO]-	240.106361	181.8
[M+Na-2H]-	202.067176	141.7
[M]+	181.09196142	140.9
[M]-	181.09305858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe