CID 21162552

2-ethoxythiophene-3-carboxylic acid

Structural Information

Molecular Formula
C7H8O3S
SMILES
CCOC1=C(C=CS1)C(=O)O
InChI
InChI=1S/C7H8O3S/c1-2-10-7-5(6(8)9)3-4-11-7/h3-4H,2H2,1H3,(H,8,9)
InChIKey
PIEZKBUYWDSLKG-UHFFFAOYSA-N
Compound name
2-ethoxythiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

172.01941 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.026686 134.1
[M+Na]+ 195.008628 142.9
[M-H]- 171.012134 137.2
[M+NH4]+ 190.053233 156.3
[M+K]+ 210.982568 141.2
[M+H-H2O]+ 155.016670 129.4
[M+HCOO]- 217.017611 153.1
[M+CH3COO]- 231.033261 173.7
[M+Na-2H]- 192.994076 135.4
[M]+ 172.01886142 137.8
[M]- 172.01995858 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

No literature data available for this compound.

Patent stripe

patents stripe