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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe