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 148.6
[M+Na]+ 233.06068 156.3
[M-H]- 209.06418 154.7
[M+NH4]+ 228.10528 171.1
[M+K]+ 249.03462 153.5
[M+H-H2O]+ 193.06872 144.0
[M+HCOO]- 255.06966 165.7
[M+CH3COO]- 269.08531 181.5
[M+Na-2H]- 231.04613 145.5
[M]+ 210.07091 148.6
[M]- 210.07201 148.6
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.