CID 3733644
Sodium [(carbamoylmethyl)sulfanyl]sulfonate
Structural Information
- Molecular Formula
- C2H5NO4S2
- SMILES
- C(C(=O)N)SS(=O)(=O)O
- InChI
- InChI=1S/C2H5NO4S2/c3-2(4)1-8-9(5,6)7/h1H2,(H2,3,4)(H,5,6,7)
- InChIKey
- WDTBSUHNRDDBAF-UHFFFAOYSA-N
- Compound name
- 1-amino-1-oxo-2-sulfosulfanylethane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 171.97328 | 130.4 |
[M+Na]+ | 193.95522 | 137.6 |
[M-H]- | 169.95872 | 128.6 |
[M+NH4]+ | 188.99982 | 149.2 |
[M+K]+ | 209.92916 | 134.5 |
[M+H-H2O]+ | 153.96326 | 125.3 |
[M+HCOO]- | 215.96420 | 141.4 |
[M+CH3COO]- | 229.97985 | 172.3 |
[M+Na-2H]- | 191.94067 | 132.2 |
[M]+ | 170.96545 | 131.2 |
[M]- | 170.96655 | 131.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.