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
2
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]+ 215.996126 142.3
[M+Na]+ 237.978068 151.0
[M-H]- 213.981574 141.4
[M+NH4]+ 233.022673 159.6
[M+K]+ 253.952008 147.2
[M+H-H2O]+ 197.986110 137.2
[M+HCOO]- 259.987051 156.8
[M+CH3COO]- 274.002701 174.8
[M+Na-2H]- 235.963516 141.1
[M]+ 214.98830142 143.0
[M]- 214.98939858 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.