CID 69662
Decyl sulfide
Structural Information
- Molecular Formula
- C20H42S
- SMILES
- CCCCCCCCCCSCCCCCCCCCC
- InChI
- InChI=1S/C20H42S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
- InChIKey
- RKYMVQJWYYOIJB-UHFFFAOYSA-N
- Compound name
- 1-decylsulfanyldecane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 315.30800 | 185.2 |
[M+Na]+ | 337.28994 | 186.6 |
[M-H]- | 313.29344 | 183.0 |
[M+NH4]+ | 332.33454 | 200.7 |
[M+K]+ | 353.26388 | 181.7 |
[M+H-H2O]+ | 297.29798 | 177.8 |
[M+HCOO]- | 359.29892 | 199.0 |
[M+CH3COO]- | 373.31457 | 213.2 |
[M+Na-2H]- | 335.27539 | 181.6 |
[M]+ | 314.30017 | 193.8 |
[M]- | 314.30127 | 193.8 |