CID 20068539

Thienylcyclohexylpiperidine

Structural Information

Molecular Formula

C₁₅H₂₃NS

SMILES

C1CCC(CC1)N2CCCCC2C3=CC=CS3

InChI

InChI=1S/C15H23NS/c1-2-7-13(8-3-1)16-11-5-4-9-14(16)15-10-6-12-17-15/h6,10,12-14H,1-5,7-9,11H2

InChIKey

BBCHKZRHRVJNLV-UHFFFAOYSA-N

Compound name

1-cyclohexyl-2-thiophen-2-ylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 261
References: 90
Patents: 249.15512 Da
Monoisotopic Mass: 4.2
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]+	250.16240	158.7
[M+Na]+	272.14434	169.6
[M+NH4]+	267.18894	169.3
[M+K]+	288.11828	161.1
[M-H]-	248.14784	165.0
[M+Na-2H]-	270.12979	165.7
[M]+	249.15457	162.5
[M]-	249.15567	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe