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 136.0
[M+Na]+ 218.98348 147.7
[M-H]- 194.98698 141.6
[M+NH4]+ 214.02808 155.1
[M+K]+ 234.95742 146.7
[M+H-H2O]+ 178.99152 130.3
[M+HCOO]- 240.99246 155.8
[M+CH3COO]- 255.00811 150.8
[M+Na-2H]- 216.96893 138.6
[M]+ 195.99371 141.3
[M]- 195.99481 141.3
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