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]+ 211.078736 146.8
[M+Na]+ 233.060678 152.5
[M-H]- 209.064184 151.9
[M+NH4]+ 228.105283 167.0
[M+K]+ 249.034618 149.5
[M+H-H2O]+ 193.068720 141.3
[M+HCOO]- 255.069661 161.8
[M+CH3COO]- 269.085311 180.3
[M+Na-2H]- 231.046126 145.8
[M]+ 210.07091142 144.0
[M]- 210.07200858 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