CID 22025292

59855-88-8

Structural Information

Molecular Formula
C5H5NO3S
SMILES
C1=C(SC(=N1)CO)C(=O)O
InChI
InChI=1S/C5H5NO3S/c7-2-4-6-1-3(10-4)5(8)9/h1,7H,2H2,(H,8,9)
InChIKey
OPSZXGOORISTNR-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

158.99901 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.006286 129.3
[M+Na]+ 181.988228 138.4
[M-H]- 157.991734 129.7
[M+NH4]+ 177.032833 149.8
[M+K]+ 197.962168 136.3
[M+H-H2O]+ 141.996270 124.2
[M+HCOO]- 203.997211 146.1
[M+CH3COO]- 218.012861 167.8
[M+Na-2H]- 179.973676 131.0
[M]+ 158.99846142 130.8
[M]- 158.99955858 130.8
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