CID 62764

1-(1-(2-thienyl)cyclohexyl)pyrrolidine

Structural Information

Molecular Formula

C₁₄H₂₁NS

SMILES

C1CCC(CC1)(C2=CC=CS2)N3CCCC3

InChI

InChI=1S/C14H21NS/c1-2-8-14(9-3-1,13-7-6-12-16-13)15-10-4-5-11-15/h6-7,12H,1-5,8-11H2

InChIKey

XLQOCWQLDNWQDM-UHFFFAOYSA-N

Compound name

1-(1-thiophen-2-ylcyclohexyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 90
Patents: 235.13947 Da
Monoisotopic Mass: 3.6
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]+	236.14675	155.8
[M+Na]+	258.12869	165.6
[M+NH4]+	253.17329	167.7
[M+K]+	274.10263	157.5
[M-H]-	234.13219	161.2
[M+Na-2H]-	256.11414	163.8
[M]+	235.13892	159.3
[M]-	235.14002	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe