CID 15691763

133833-94-0

Structural Information

Molecular Formula
C5H5NO3S
SMILES
CC1=C(N=C(S1)C(=O)O)O
InChI
InChI=1S/C5H5NO3S/c1-2-3(7)6-4(10-2)5(8)9/h7H,1H3,(H,8,9)
InChIKey
XWZZGBAAPWOSNW-UHFFFAOYSA-N
Compound name
4-hydroxy-5-methyl-1,3-thiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

158.99901 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.00629 128.7
[M+Na]+ 181.98823 138.7
[M-H]- 157.99173 129.5
[M+NH4]+ 177.03283 149.5
[M+K]+ 197.96217 136.5
[M+H-H2O]+ 141.99627 123.9
[M+HCOO]- 203.99721 145.5
[M+CH3COO]- 218.01286 169.0
[M+Na-2H]- 179.97368 129.8
[M]+ 158.99846 130.6
[M]- 158.99956 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.