CID 116202870

5-(1,3-thiazol-5-yl)-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C7H4N2O3S
SMILES
C1=C(ON=C1C(=O)O)C2=CN=CS2
InChI
InChI=1S/C7H4N2O3S/c10-7(11)4-1-5(12-9-4)6-2-8-3-13-6/h1-3H,(H,10,11)
InChIKey
VSSWCHUNYVEVMF-UHFFFAOYSA-N
Compound name
5-(1,3-thiazol-5-yl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

195.99426 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00154 137.6
[M+Na]+ 218.98348 149.3
[M+NH4]+ 214.02808 144.9
[M+K]+ 234.95742 147.2
[M-H]- 194.98698 139.7
[M+Na-2H]- 216.96893 143.1
[M]+ 195.99371 140.1
[M]- 195.99481 140.1
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