CID 17977183

2-hydroxy-4-methylthiazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H5NO3S
SMILES
CC1=C(SC(=O)N1)C(=O)O
InChI
InChI=1S/C5H5NO3S/c1-2-3(4(7)8)10-5(9)6-2/h1H3,(H,6,9)(H,7,8)
InChIKey
NVHAAIMFHOSMHD-UHFFFAOYSA-N
Compound name
4-methyl-2-oxo-3H-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

158.99901 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.00629 128.3
[M+Na]+ 181.98823 138.6
[M-H]- 157.99173 129.2
[M+NH4]+ 177.03283 149.1
[M+K]+ 197.96217 135.8
[M+H-H2O]+ 141.99627 123.6
[M+HCOO]- 203.99721 145.3
[M+CH3COO]- 218.01286 168.2
[M+Na-2H]- 179.97368 129.3
[M]+ 158.99846 129.5
[M]- 158.99956 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