CID 59542503

5-cyclohexylthiophene-3-carboxylic acid

Structural Information

Molecular Formula
C11H14O2S
SMILES
C1CCC(CC1)C2=CC(=CS2)C(=O)O
InChI
InChI=1S/C11H14O2S/c12-11(13)9-6-10(14-7-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13)
InChIKey
IXCCTDMPNWUNBK-UHFFFAOYSA-N
Compound name
5-cyclohexylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

210.07146 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07874 146.8
[M+Na]+ 233.06068 152.5
[M-H]- 209.06418 151.9
[M+NH4]+ 228.10528 167.0
[M+K]+ 249.03462 149.5
[M+H-H2O]+ 193.06872 141.3
[M+HCOO]- 255.06966 161.8
[M+CH3COO]- 269.08531 180.3
[M+Na-2H]- 231.04613 145.8
[M]+ 210.07091 144.0
[M]- 210.07201 144.0
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

patents stripe