CID 439904

S5-methyl-5-thio-d-ribose

Structural Information

Molecular Formula
C6H12O4S
SMILES
CSC[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O
InChI
InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1
InChIKey
OLVVOVIFTBSBBH-KVTDHHQDSA-N
Compound name
(2R,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

96
Patents

180.04562 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05290 136.8
[M+Na]+ 203.03484 144.6
[M+NH4]+ 198.07944 143.7
[M+K]+ 219.00878 141.8
[M-H]- 179.03834 136.9
[M+Na-2H]- 201.02029 136.8
[M]+ 180.04507 138.0
[M]- 180.04617 138.0
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

patents stripe