CID 13205581

5-aminothiophene-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C5H5NO2S
SMILES
C1=C(SC=C1C(=O)O)N
InChI
InChI=1S/C5H5NO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,6H2,(H,7,8)
InChIKey
GDCXAVLSIKFZMY-UHFFFAOYSA-N
Compound name
5-aminothiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

143.0041 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.01138 126.0
[M+Na]+ 165.99332 134.8
[M-H]- 141.99682 128.7
[M+NH4]+ 161.03792 148.7
[M+K]+ 181.96726 132.6
[M+H-H2O]+ 126.00136 121.2
[M+HCOO]- 188.00230 145.6
[M+CH3COO]- 202.01795 169.9
[M+Na-2H]- 163.97877 127.7
[M]+ 143.00355 125.7
[M]- 143.00465 125.7
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