CID 12553633

5-acetyl-4-amino-1,2-thiazole-3-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O3S
SMILES
CC(=O)C1=C(C(=NS1)C(=O)O)N
InChI
InChI=1S/C6H6N2O3S/c1-2(9)5-3(7)4(6(10)11)8-12-5/h7H2,1H3,(H,10,11)
InChIKey
RASHSUIIZOFULY-UHFFFAOYSA-N
Compound name
5-acetyl-4-amino-1,2-thiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.00992 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.017196 136.5
[M+Na]+ 208.999138 145.4
[M-H]- 185.002644 138.0
[M+NH4]+ 204.043743 156.1
[M+K]+ 224.973078 143.3
[M+H-H2O]+ 169.007180 130.8
[M+HCOO]- 231.008121 153.9
[M+CH3COO]- 245.023771 178.9
[M+Na-2H]- 206.984586 135.9
[M]+ 186.00937142 137.5
[M]- 186.01046858 137.5
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

No patent data available for this compound.