CID 44118319

1170060-19-1

Structural Information

Molecular Formula
C6H6N2O3S
SMILES
CC(=O)NC1=NC=C(S1)C(=O)O
InChI
InChI=1S/C6H6N2O3S/c1-3(9)8-6-7-2-4(12-6)5(10)11/h2H,1H3,(H,10,11)(H,7,8,9)
InChIKey
SJYFSVDACNOHOD-UHFFFAOYSA-N
Compound name
2-acetamido-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

186.00992 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01720 136.8
[M+Na]+ 208.99914 145.1
[M-H]- 185.00264 138.6
[M+NH4]+ 204.04374 156.5
[M+K]+ 224.97308 143.3
[M+H-H2O]+ 169.00718 130.9
[M+HCOO]- 231.00812 154.9
[M+CH3COO]- 245.02377 177.6
[M+Na-2H]- 206.98459 137.9
[M]+ 186.00937 138.4
[M]- 186.01047 138.4
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.