CID 13061857

3-methoxy-5-methylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C7H8O3S
SMILES
CC1=CC(=C(S1)C(=O)O)OC
InChI
InChI=1S/C7H8O3S/c1-4-3-5(10-2)6(11-4)7(8)9/h3H,1-2H3,(H,8,9)
InChIKey
IYTOVCKSPJGCOJ-UHFFFAOYSA-N
Compound name
3-methoxy-5-methylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

172.01941 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02669 133.2
[M+Na]+ 195.00863 142.8
[M-H]- 171.01213 136.6
[M+NH4]+ 190.05323 155.6
[M+K]+ 210.98257 141.1
[M+H-H2O]+ 155.01667 128.7
[M+HCOO]- 217.01761 152.1
[M+CH3COO]- 231.03326 174.9
[M+Na-2H]- 192.99408 133.9
[M]+ 172.01886 137.3
[M]- 172.01996 137.3
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