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

16
Patents

158.99901 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.00629 131.0
[M+Na]+ 181.98823 140.3
[M+NH4]+ 177.03283 138.1
[M+K]+ 197.96217 136.6
[M-H]- 157.99173 129.8
[M+Na-2H]- 179.97368 133.9
[M]+ 158.99846 132.0
[M]- 158.99956 132.0
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