CID 22908239
2-butyloctane-1-thiol
Structural Information
- Molecular Formula
- C12H26S
- SMILES
- CCCCCCC(CCCC)CS
- InChI
- InChI=1S/C12H26S/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3
- InChIKey
- STXQAIWKOBWHGT-UHFFFAOYSA-N
- Compound name
- 2-butyloctane-1-thiol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 203.18280 | 151.3 |
[M+Na]+ | 225.16474 | 155.8 |
[M-H]- | 201.16824 | 150.8 |
[M+NH4]+ | 220.20934 | 171.3 |
[M+K]+ | 241.13868 | 153.6 |
[M+H-H2O]+ | 185.17278 | 145.6 |
[M+HCOO]- | 247.17372 | 166.6 |
[M+CH3COO]- | 261.18937 | 190.2 |
[M+Na-2H]- | 223.15019 | 150.5 |
[M]+ | 202.17497 | 156.3 |
[M]- | 202.17607 | 156.3 |
Literature stripe
No literature data available for this compound.