CID 503107

3-((4s,5r)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-4-methyl-3h-thiazol-2-one

Structural Information

Molecular Formula
C9H13NO4S
SMILES
CC1=CSC(=O)N1[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C9H13NO4S/c1-5-4-15-9(13)10(5)8-2-6(12)7(3-11)14-8/h4,6-8,11-12H,2-3H2,1H3/t6-,7+,8+/m0/s1
InChIKey
ANWBDEYHMPCJMI-XLPZGREQSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methyl-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.05653 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06381 148.0
[M+Na]+ 254.04575 157.7
[M-H]- 230.04925 152.8
[M+NH4]+ 249.09035 166.8
[M+K]+ 270.01969 155.9
[M+H-H2O]+ 214.05379 143.7
[M+HCOO]- 276.05473 163.6
[M+CH3COO]- 290.07038 181.6
[M+Na-2H]- 252.03120 146.3
[M]+ 231.05598 150.7
[M]- 231.05708 150.7
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.