CID 454245

345631-84-7

Structural Information

Molecular Formula
C6H3N3O2S
SMILES
C1=CN=C(C=N1)C2=NSC(=O)O2
InChI
InChI=1S/C6H3N3O2S/c10-6-11-5(9-12-6)4-3-7-1-2-8-4/h1-3H
InChIKey
MRKHBZRXPVADHR-UHFFFAOYSA-N
Compound name
5-pyrazin-2-yl-1,3,4-oxathiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

180.9946 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.00188 130.9
[M+Na]+ 203.98382 143.2
[M-H]- 179.98732 135.8
[M+NH4]+ 199.02842 148.2
[M+K]+ 219.95776 141.5
[M+H-H2O]+ 163.99186 123.6
[M+HCOO]- 225.99280 149.8
[M+CH3COO]- 240.00845 145.5
[M+Na-2H]- 201.96927 136.7
[M]+ 180.99405 134.8
[M]- 180.99515 134.8
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.