CID 71421168
1-[(6-aminohexyl)sulfanyl]ethan-1-one hydrochloride
Structural Information
- Molecular Formula
- C8H17NOS
- SMILES
- CC(=O)SCCCCCCN
- InChI
- InChI=1S/C8H17NOS/c1-8(10)11-7-5-3-2-4-6-9/h2-7,9H2,1H3
- InChIKey
- CVJRFXDLOMOAGV-UHFFFAOYSA-N
- Compound name
- S-(6-aminohexyl) ethanethioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 176.11037 | 140.9 |
[M+Na]+ | 198.09231 | 148.9 |
[M+NH4]+ | 193.13691 | 148.5 |
[M+K]+ | 214.06625 | 141.4 |
[M-H]- | 174.09581 | 140.7 |
[M+Na-2H]- | 196.07776 | 142.8 |
[M]+ | 175.10254 | 142.1 |
[M]- | 175.10364 | 142.1 |