CID 3865966

4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C13H12O3S
SMILES
CC1=C(C=C(S1)C(=O)O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H12O3S/c1-8-11(7-12(17-8)13(14)15)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,14,15)
InChIKey
LVMYIOZBPWDMAD-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

248.05072 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05800 154.6
[M+Na]+ 271.03994 166.9
[M+NH4]+ 266.08454 162.9
[M+K]+ 287.01388 160.8
[M-H]- 247.04344 157.6
[M+Na-2H]- 269.02539 160.7
[M]+ 248.05017 157.6
[M]- 248.05127 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.