CID 3024273
1-methoxyhexane-3-thiol
Structural Information
- Molecular Formula
- C7H16OS
- SMILES
- CCCC(CCOC)S
- InChI
- InChI=1S/C7H16OS/c1-3-4-7(9)5-6-8-2/h7,9H,3-6H2,1-2H3
- InChIKey
- GTDLILFCRHJTRW-UHFFFAOYSA-N
- Compound name
- 1-methoxyhexane-3-thiol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 149.09948 | 132.6 |
[M+Na]+ | 171.08142 | 139.1 |
[M-H]- | 147.08492 | 133.0 |
[M+NH4]+ | 166.12602 | 154.7 |
[M+K]+ | 187.05536 | 138.6 |
[M+H-H2O]+ | 131.08946 | 127.7 |
[M+HCOO]- | 193.09040 | 149.7 |
[M+CH3COO]- | 207.10605 | 177.0 |
[M+Na-2H]- | 169.06687 | 134.3 |
[M]+ | 148.09165 | 137.1 |
[M]- | 148.09275 | 137.1 |