CID 83672154

2-hydroxy-5-methyl-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H5NO3S
SMILES
CC1=C(NC(=O)S1)C(=O)O
InChI
InChI=1S/C5H5NO3S/c1-2-3(4(7)8)6-5(9)10-2/h1H3,(H,6,9)(H,7,8)
InChIKey
VYBPAMQBRMTMQG-UHFFFAOYSA-N
Compound name
5-methyl-2-oxo-3H-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.99901 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.006286 128.3
[M+Na]+ 181.988228 138.6
[M-H]- 157.991734 129.2
[M+NH4]+ 177.032833 149.1
[M+K]+ 197.962168 135.8
[M+H-H2O]+ 141.996270 123.6
[M+HCOO]- 203.997211 145.3
[M+CH3COO]- 218.012861 168.2
[M+Na-2H]- 179.973676 129.3
[M]+ 158.99846142 129.5
[M]- 158.99955858 129.5
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