CID 178244315

3-oxofuro[3,2-d][1,3]thiazol-5-ol

Structural Information

Molecular Formula
C5H3NO3S
SMILES
C1=C(OC2=C1N=CS2=O)O
InChI
InChI=1S/C5H3NO3S/c7-4-1-3-5(9-4)10(8)2-6-3/h1-2,7H
InChIKey
WABXOVZHIGQMEO-UHFFFAOYSA-N
Compound name
3-oxofuro[3,2-d][1,3]thiazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.98337 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.990646 125.0
[M+Na]+ 179.972588 137.7
[M-H]- 155.976094 129.5
[M+NH4]+ 175.017193 148.6
[M+K]+ 195.946528 136.9
[M+H-H2O]+ 139.980630 121.6
[M+HCOO]- 201.981571 144.7
[M+CH3COO]- 215.997221 140.9
[M+Na-2H]- 177.958036 129.3
[M]+ 156.98282142 130.2
[M]- 156.98391858 130.2
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.