CID 106934
67874-65-1
Structural Information
- Molecular Formula
- C6H12O4S
- SMILES
- C(CS)C(=O)OCC(CO)O
- InChI
- InChI=1S/C6H12O4S/c7-3-5(8)4-10-6(9)1-2-11/h5,7-8,11H,1-4H2
- InChIKey
- YTARCXSUNGADNU-UHFFFAOYSA-N
- Compound name
- 2,3-dihydroxypropyl 3-sulfanylpropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 181.05290 | 138.6 |
[M+Na]+ | 203.03484 | 145.7 |
[M+NH4]+ | 198.07944 | 144.6 |
[M+K]+ | 219.00878 | 141.0 |
[M-H]- | 179.03834 | 135.5 |
[M+Na-2H]- | 201.02029 | 138.8 |
[M]+ | 180.04507 | 138.7 |
[M]- | 180.04617 | 138.7 |
Literature stripe
No literature data available for this compound.