CID 61563289
1363992-79-3
Structural Information
- Molecular Formula
- C7H13NO4S
- SMILES
- COC(=O)C1(CCS(=O)(=O)CC1)N
- InChI
- InChI=1S/C7H13NO4S/c1-12-6(9)7(8)2-4-13(10,11)5-3-7/h2-5,8H2,1H3
- InChIKey
- PRVCXEQAGFJWKX-UHFFFAOYSA-N
- Compound name
- methyl 4-amino-1,1-dioxothiane-4-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 208.06381 | 139.0 |
[M+Na]+ | 230.04575 | 146.0 |
[M-H]- | 206.04925 | 141.9 |
[M+NH4]+ | 225.09035 | 161.4 |
[M+K]+ | 246.01969 | 145.2 |
[M+H-H2O]+ | 190.05379 | 135.3 |
[M+HCOO]- | 252.05473 | 155.1 |
[M+CH3COO]- | 266.07038 | 180.9 |
[M+Na-2H]- | 228.03120 | 143.1 |
[M]+ | 207.05598 | 138.6 |
[M]- | 207.05708 | 138.6 |
Literature stripe
No literature data available for this compound.