CID 13277907

4-hydroxythiophene-2-carboxylic acid

Structural Information

Molecular Formula
C5H4O3S
SMILES
C1=C(SC=C1O)C(=O)O
InChI
InChI=1S/C5H4O3S/c6-3-1-4(5(7)8)9-2-3/h1-2,6H,(H,7,8)
InChIKey
FFIUBSLJPHJUCZ-UHFFFAOYSA-N
Compound name
4-hydroxythiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

143.98811 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.99539 126.8
[M+Na]+ 166.97733 136.3
[M+NH4]+ 162.02193 134.7
[M+K]+ 182.95127 132.4
[M-H]- 142.98083 126.5
[M+Na-2H]- 164.96278 130.2
[M]+ 143.98756 128.2
[M]- 143.98866 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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