CID 15620167
36165-01-2
Structural Information
- Molecular Formula
- C6H10O3S
- SMILES
- C1CCS(=O)(=O)CC(=O)C1
- InChI
- InChI=1S/C6H10O3S/c7-6-3-1-2-4-10(8,9)5-6/h1-5H2
- InChIKey
- YZZMNMCXPNZNIU-UHFFFAOYSA-N
- Compound name
- 1,1-dioxothiepan-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 163.04234 | 126.7 |
[M+Na]+ | 185.02428 | 131.8 |
[M-H]- | 161.02778 | 131.1 |
[M+NH4]+ | 180.06888 | 147.7 |
[M+K]+ | 200.99822 | 134.7 |
[M+H-H2O]+ | 145.03232 | 122.7 |
[M+HCOO]- | 207.03326 | 142.7 |
[M+CH3COO]- | 221.04891 | 173.9 |
[M+Na-2H]- | 183.00973 | 130.3 |
[M]+ | 162.03451 | 122.8 |
[M]- | 162.03561 | 122.8 |
Literature stripe
No literature data available for this compound.