CID 145866918

5-methyl-2-(thiophen-2-yl)piperidine

Structural Information

Molecular Formula

C₁₀H₁₅NS

SMILES

CC1CCC(NC1)C2=CC=CS2

InChI

InChI=1S/C10H15NS/c1-8-4-5-9(11-7-8)10-3-2-6-12-10/h2-3,6,8-9,11H,4-5,7H2,1H3

InChIKey

SEJUNPUQJPZFEN-UHFFFAOYSA-N

Compound name

5-methyl-2-thiophen-2-ylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 181.09251 Da
Monoisotopic Mass: 2.3
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	139.4
[M+Na]+	204.081728	145.9
[M-H]-	180.085234	143.2
[M+NH4]+	199.126333	159.8
[M+K]+	220.055668	142.2
[M+H-H2O]+	164.089770	133.2
[M+HCOO]-	226.090711	153.9
[M+CH3COO]-	240.106361	151.5
[M+Na-2H]-	202.067176	139.6
[M]+	181.09196142	135.2
[M]-	181.09305858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe