CID 113320
63512-62-9
Structural Information
- Molecular Formula
- C8H17NOS
- SMILES
- CCCC(=O)SCCN(C)C
- InChI
- InChI=1S/C8H17NOS/c1-4-5-8(10)11-7-6-9(2)3/h4-7H2,1-3H3
- InChIKey
- DSJJEJHMVGHXTN-UHFFFAOYSA-N
- Compound name
- S-[2-(dimethylamino)ethyl] butanethioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 176.11037 | 141.3 |
[M+Na]+ | 198.09231 | 149.9 |
[M+NH4]+ | 193.13691 | 149.4 |
[M+K]+ | 214.06625 | 142.6 |
[M-H]- | 174.09581 | 141.6 |
[M+Na-2H]- | 196.07776 | 143.9 |
[M]+ | 175.10254 | 142.8 |
[M]- | 175.10364 | 142.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.