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]+ 187.01720 138.5
[M+Na]+ 208.99914 146.6
[M+NH4]+ 204.04374 144.7
[M+K]+ 224.97308 144.0
[M-H]- 185.00264 137.5
[M+Na-2H]- 206.98459 140.4
[M]+ 186.00937 139.3
[M]- 186.01047 139.3
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.