CID 87491021
C12-sas
Structural Information
- Molecular Formula
- C12H26O3S
- SMILES
- CCCCCCCC(CCCC)S(=O)(=O)O
- InChI
- InChI=1S/C12H26O3S/c1-3-5-7-8-9-11-12(10-6-4-2)16(13,14)15/h12H,3-11H2,1-2H3,(H,13,14,15)
- InChIKey
- BSQQGKMAIODZDZ-UHFFFAOYSA-N
- Compound name
- dodecane-5-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 251.16754 | 160.8 |
[M+Na]+ | 273.14948 | 165.5 |
[M-H]- | 249.15298 | 158.9 |
[M+NH4]+ | 268.19408 | 177.9 |
[M+K]+ | 289.12342 | 162.7 |
[M+H-H2O]+ | 233.15752 | 155.4 |
[M+HCOO]- | 295.15846 | 174.2 |
[M+CH3COO]- | 309.17411 | 191.8 |
[M+Na-2H]- | 271.13493 | 160.6 |
[M]+ | 250.15971 | 166.3 |
[M]- | 250.16081 | 166.3 |
Literature stripe
No literature data available for this compound.