CID 820724

100058-72-8

Structural Information

Molecular Formula

C₁₁H₁₄O₂S

SMILES

C1CCC(CC1)(C2=CC=CS2)C(=O)O

InChI

InChI=1S/C11H14O2S/c12-10(13)11(6-2-1-3-7-11)9-5-4-8-14-9/h4-5,8H,1-3,6-7H2,(H,12,13)

InChIKey

TVJXMYFENIHEOZ-UHFFFAOYSA-N

Compound name

1-thiophen-2-ylcyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 210.07146 Da
Monoisotopic Mass: 3.1
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]+	211.07874	146.6
[M+Na]+	233.06068	156.0
[M+NH4]+	228.10528	157.1
[M+K]+	249.03462	148.2
[M-H]-	209.06418	149.4
[M+Na-2H]-	231.04613	153.3
[M]+	210.07091	149.1
[M]-	210.07201	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe