CID 19433970

5-aminothiophene-2-carboxylic acid

Structural Information

Molecular Formula
C5H5NO2S
SMILES
C1=C(SC(=C1)N)C(=O)O
InChI
InChI=1S/C5H5NO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,6H2,(H,7,8)
InChIKey
YZRVTSCLFRCFPW-UHFFFAOYSA-N
Compound name
5-aminothiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

143.0041 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.01138 126.9
[M+Na]+ 165.99332 135.9
[M+NH4]+ 161.03792 135.1
[M+K]+ 181.96726 131.9
[M-H]- 141.99682 127.7
[M+Na-2H]- 163.97877 130.7
[M]+ 143.00355 128.5
[M]- 143.00465 128.5
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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