CID 132343839

2137785-72-7

Structural Information

Molecular Formula
C6H3N3O3S
SMILES
C1=C(SN=C1)C2=NN=C(O2)C(=O)O
InChI
InChI=1S/C6H3N3O3S/c10-6(11)5-9-8-4(12-5)3-1-2-7-13-3/h1-2H,(H,10,11)
InChIKey
PMJMWKQRHZUPMP-UHFFFAOYSA-N
Compound name
5-(1,2-thiazol-5-yl)-1,3,4-oxadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.98952 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.99680 135.1
[M+Na]+ 219.97874 147.3
[M-H]- 195.98224 139.5
[M+NH4]+ 215.02334 152.8
[M+K]+ 235.95268 146.3
[M+H-H2O]+ 179.98678 128.8
[M+HCOO]- 241.98772 154.0
[M+CH3COO]- 256.00337 149.6
[M+Na-2H]- 217.96419 137.8
[M]+ 196.98897 140.4
[M]- 196.99007 140.4
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.