CID 83234347

4-cyclopentylthiophene-3-carboxylic acid

Structural Information

Molecular Formula
C10H12O2S
SMILES
C1CCC(C1)C2=CSC=C2C(=O)O
InChI
InChI=1S/C10H12O2S/c11-10(12)9-6-13-5-8(9)7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12)
InChIKey
BXYWBKGRMYSSTI-UHFFFAOYSA-N
Compound name
4-cyclopentylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0558 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06308 144.9
[M+Na]+ 219.04502 152.1
[M-H]- 195.04852 150.8
[M+NH4]+ 214.08962 167.6
[M+K]+ 235.01896 149.7
[M+H-H2O]+ 179.05306 140.2
[M+HCOO]- 241.05400 162.4
[M+CH3COO]- 255.06965 177.4
[M+Na-2H]- 217.03047 142.8
[M]+ 196.05525 144.1
[M]- 196.05635 144.1
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.