CID 22729102

2490420-52-3

Structural Information

Molecular Formula

C₁₀H₁₅NS

SMILES

CC1=C(SC=C1)C2CCNCC2

InChI

InChI=1S/C10H15NS/c1-8-4-7-12-10(8)9-2-5-11-6-3-9/h4,7,9,11H,2-3,5-6H2,1H3

InChIKey

BKYSVTMISARVBY-UHFFFAOYSA-N

Compound name

4-(3-methylthiophen-2-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 181.09251 Da
Monoisotopic Mass: 2.1
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]+	182.09979	139.6
[M+Na]+	204.08173	150.7
[M+NH4]+	199.12633	149.6
[M+K]+	220.05567	143.4
[M-H]-	180.08523	143.2
[M+Na-2H]-	202.06718	145.5
[M]+	181.09196	142.6
[M]-	181.09306	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe