CID 16038323

4-[2-carboxylatovinyl]-2-hydroxythiazole-5-carboxylate

Structural Information

Molecular Formula
C7H5NO5S
SMILES
C(=C\C(=O)O)\C1=C(SC(=O)N1)C(=O)O
InChI
InChI=1S/C7H5NO5S/c9-4(10)2-1-3-5(6(11)12)14-7(13)8-3/h1-2H,(H,8,13)(H,9,10)(H,11,12)/b2-1-
InChIKey
WOBNAGMFAVTJEI-UPHRSURJSA-N
Compound name
4-[(Z)-2-carboxyethenyl]-2-oxo-3H-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.98885 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.99613 142.3
[M+Na]+ 237.97807 151.0
[M-H]- 213.98157 141.4
[M+NH4]+ 233.02267 159.6
[M+K]+ 253.95201 147.2
[M+H-H2O]+ 197.98611 137.2
[M+HCOO]- 259.98705 156.8
[M+CH3COO]- 274.00270 174.8
[M+Na-2H]- 235.96352 141.1
[M]+ 214.98830 143.0
[M]- 214.98940 143.0
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.