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]+ 197.001536 136.0
[M+Na]+ 218.983478 147.7
[M-H]- 194.986984 141.6
[M+NH4]+ 214.028083 155.1
[M+K]+ 234.957418 146.7
[M+H-H2O]+ 178.991520 130.3
[M+HCOO]- 240.992461 155.8
[M+CH3COO]- 255.008111 150.8
[M+Na-2H]- 216.968926 138.6
[M]+ 195.99371142 141.3
[M]- 195.99480858 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