CID 8851
Tert-octanethiol
Structural Information
- Molecular Formula
- C8H18S
- SMILES
- CC(C)(C)CC(C)(C)S
- InChI
- InChI=1S/C8H18S/c1-7(2,3)6-8(4,5)9/h9H,6H2,1-5H3
- InChIKey
- QZLAEIZEPJAELS-UHFFFAOYSA-N
- Compound name
- 2,4,4-trimethylpentane-2-thiol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 147.12020 | 133.2 |
[M+Na]+ | 169.10214 | 140.6 |
[M-H]- | 145.10564 | 134.1 |
[M+NH4]+ | 164.14674 | 155.9 |
[M+K]+ | 185.07608 | 139.8 |
[M+H-H2O]+ | 129.11018 | 129.5 |
[M+HCOO]- | 191.11112 | 148.0 |
[M+CH3COO]- | 205.12677 | 177.5 |
[M+Na-2H]- | 167.08759 | 137.1 |
[M]+ | 146.11237 | 136.3 |
[M]- | 146.11347 | 136.3 |