CID 43805571

5-cyclohexylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C11H14O2S
SMILES
C1CCC(CC1)C2=CC=C(S2)C(=O)O
InChI
InChI=1S/C11H14O2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13)
InChIKey
BLTOAMGPMKEQFC-UHFFFAOYSA-N
Compound name
5-cyclohexylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.07146 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07874 146.1
[M+Na]+ 233.06068 155.8
[M+NH4]+ 228.10528 155.2
[M+K]+ 249.03462 149.8
[M-H]- 209.06418 149.0
[M+Na-2H]- 231.04613 150.9
[M]+ 210.07091 148.5
[M]- 210.07201 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.