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
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 |