CID 188307

131922-30-0

Structural Information

Molecular Formula
C9H10N2O3S
SMILES
C1=C[C@@H](O[C@@H]1CO)C2=NC(=CS2)C(=O)N
InChI
InChI=1S/C9H10N2O3S/c10-8(13)6-4-15-9(11-6)7-2-1-5(3-12)14-7/h1-2,4-5,7,12H,3H2,(H2,10,13)/t5-,7+/m0/s1
InChIKey
HAUJIUYEOGTBMH-CAHLUQPWSA-N
Compound name
2-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

226.04121 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04849 147.8
[M+Na]+ 249.03043 156.2
[M-H]- 225.03393 153.2
[M+NH4]+ 244.07503 166.3
[M+K]+ 265.00437 154.6
[M+H-H2O]+ 209.03847 142.2
[M+HCOO]- 271.03941 165.5
[M+CH3COO]- 285.05506 184.3
[M+Na-2H]- 247.01588 147.0
[M]+ 226.04066 149.1
[M]- 226.04176 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.