CID 109355
Sodium propyl 9(or 10)-sulfostearate
Structural Information
- Molecular Formula
- C21H42O5S
- SMILES
- CCCCCCCCCC(CCCCCCCC(=O)OCCC)S(=O)(=O)O
- InChI
- InChI=1S/C21H42O5S/c1-3-5-6-7-8-10-13-16-20(27(23,24)25)17-14-11-9-12-15-18-21(22)26-19-4-2/h20H,3-19H2,1-2H3,(H,23,24,25)
- InChIKey
- QBXNSSYWIGRYHB-UHFFFAOYSA-N
- Compound name
- 1-oxo-1-propoxyoctadecane-9-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 407.28258 | 204.7 |
[M+Na]+ | 429.26452 | 205.2 |
[M-H]- | 405.26802 | 200.9 |
[M+NH4]+ | 424.30912 | 210.4 |
[M+K]+ | 445.23846 | 201.2 |
[M+H-H2O]+ | 389.27256 | 197.4 |
[M+HCOO]- | 451.27350 | 218.9 |
[M+CH3COO]- | 465.28915 | 221.5 |
[M+Na-2H]- | 427.24997 | 199.7 |
[M]+ | 406.27475 | 214.9 |
[M]- | 406.27585 | 214.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.