CID 479977

(3s,4s,2r,5r)-5-(hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol

Structural Information

Molecular Formula
C12H16O4S
SMILES
C1=CC=C(C=C1)SC[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C12H16O4S/c13-6-9-11(14)12(15)10(16-9)7-17-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12-/m1/s1
InChIKey
HONAZUBGMFRDAE-WRWGMCAJSA-N
Compound name
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.07693 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08421 155.5
[M+Na]+ 279.06615 162.3
[M-H]- 255.06965 159.1
[M+NH4]+ 274.11075 171.7
[M+K]+ 295.04009 159.1
[M+H-H2O]+ 239.07419 150.4
[M+HCOO]- 301.07513 168.9
[M+CH3COO]- 315.09078 184.7
[M+Na-2H]- 277.05160 155.2
[M]+ 256.07638 156.2
[M]- 256.07748 156.2
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.