CID 503111

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

Structural Information

Molecular Formula
C9H13NO5S
SMILES
CC1=CSC(=O)N1[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C9H13NO5S/c1-4-3-16-9(14)10(4)8-7(13)6(12)5(2-11)15-8/h3,5-8,11-13H,2H2,1H3/t5-,6-,7-,8+/m1/s1
InChIKey
OJTOQXPVJZWZLT-XUTVFYLZSA-N
Compound name
3-[(2S,3R,4S,5R)-3,4-dihydroxy-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

247.05144 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05872 150.9
[M+Na]+ 270.04066 160.7
[M-H]- 246.04416 154.6
[M+NH4]+ 265.08526 168.5
[M+K]+ 286.01460 158.5
[M+H-H2O]+ 230.04870 146.9
[M+HCOO]- 292.04964 165.1
[M+CH3COO]- 306.06529 182.9
[M+Na-2H]- 268.02611 148.5
[M]+ 247.05089 153.6
[M]- 247.05199 153.6
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.