CID 139598088
Sta-11dc
Structural Information
- Molecular Formula
- C23H34O7S
- SMILES
- C1CC(C2=C(C1CCCCCCCC(=O)O)C=CC(=C2)S(=O)(=O)O)CCCCC(=O)O
- InChI
- InChI=1S/C23H34O7S/c24-22(25)10-5-3-1-2-4-8-17-12-13-18(9-6-7-11-23(26)27)21-16-19(31(28,29)30)14-15-20(17)21/h14-18H,1-13H2,(H,24,25)(H,26,27)(H,28,29,30)
- InChIKey
- YTVWBEMKDUKMAR-UHFFFAOYSA-N
- Compound name
- 8-[4-(4-carboxybutyl)-6-sulfo-1,2,3,4-tetrahydronaphthalen-1-yl]octanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 455.20978 | 206.1 |
[M+Na]+ | 477.19172 | 207.2 |
[M-H]- | 453.19522 | 203.9 |
[M+NH4]+ | 472.23632 | 213.6 |
[M+K]+ | 493.16566 | 202.3 |
[M+H-H2O]+ | 437.19976 | 199.3 |
[M+HCOO]- | 499.20070 | 211.6 |
[M+CH3COO]- | 513.21635 | 225.3 |
[M+Na-2H]- | 475.17717 | 203.2 |
[M]+ | 454.20195 | 210.4 |
[M]- | 454.20305 | 210.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.