CID 2777652

3-ethoxythiophene-2-carboxylic acid

Structural Information

Molecular Formula
C7H8O3S
SMILES
CCOC1=C(SC=C1)C(=O)O
InChI
InChI=1S/C7H8O3S/c1-2-10-5-3-4-11-6(5)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChIKey
FTKDCOINUAYGTC-UHFFFAOYSA-N
Compound name
3-ethoxythiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

194
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 134.1
[M+Na]+ 195.00863 142.9
[M-H]- 171.01213 137.2
[M+NH4]+ 190.05323 156.3
[M+K]+ 210.98257 141.2
[M+H-H2O]+ 155.01667 129.4
[M+HCOO]- 217.01761 153.1
[M+CH3COO]- 231.03326 173.7
[M+Na-2H]- 192.99408 135.4
[M]+ 172.01886 137.8
[M]- 172.01996 137.8
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

patents stripe