CID 127011889

4-cyclopentyl-5-methylthiophene-3-carboxylic acid

Structural Information

Molecular Formula
C11H14O2S
SMILES
CC1=C(C(=CS1)C(=O)O)C2CCCC2
InChI
InChI=1S/C11H14O2S/c1-7-10(8-4-2-3-5-8)9(6-14-7)11(12)13/h6,8H,2-5H2,1H3,(H,12,13)
InChIKey
XCPSAHVUSBKGFR-UHFFFAOYSA-N
Compound name
4-cyclopentyl-5-methylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.07146 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07874 147.9
[M+Na]+ 233.06068 156.8
[M+NH4]+ 228.10528 156.7
[M+K]+ 249.03462 153.1
[M-H]- 209.06418 150.1
[M+Na-2H]- 231.04613 151.4
[M]+ 210.07091 150.0
[M]- 210.07201 150.0
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

No patent data available for this compound.