CID 20061617

857982-30-0

Structural Information

Molecular Formula
C4H3NO3S
SMILES
C1=C(SC(=O)N1)C(=O)O
InChI
InChI=1S/C4H3NO3S/c6-3(7)2-1-5-4(8)9-2/h1H,(H,5,8)(H,6,7)
InChIKey
WFEBFAOQWZALHJ-UHFFFAOYSA-N
Compound name
2-oxo-3H-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

144.98337 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.99065 126.8
[M+Na]+ 167.97259 136.4
[M+NH4]+ 163.01719 133.8
[M+K]+ 183.94653 132.8
[M-H]- 143.97609 125.5
[M+Na-2H]- 165.95804 129.8
[M]+ 144.98282 127.8
[M]- 144.98392 127.8
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