CID 175044
72361-57-0
Structural Information
- Molecular Formula
- C10H22O8S2
- SMILES
- C(CCS(=O)(=O)O)COCCOCCCCS(=O)(=O)O
- InChI
- InChI=1S/C10H22O8S2/c11-19(12,13)9-3-1-5-17-7-8-18-6-2-4-10-20(14,15)16/h1-10H2,(H,11,12,13)(H,14,15,16)
- InChIKey
- TWWOVNSPXYGLOD-UHFFFAOYSA-N
- Compound name
- 4-[2-(4-sulfobutoxy)ethoxy]butane-1-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 335.08290 | 172.6 |
[M+Na]+ | 357.06484 | 176.4 |
[M-H]- | 333.06834 | 168.4 |
[M+NH4]+ | 352.10944 | 184.5 |
[M+K]+ | 373.03878 | 172.6 |
[M+H-H2O]+ | 317.07288 | 166.4 |
[M+HCOO]- | 379.07382 | 180.3 |
[M+CH3COO]- | 393.08947 | 196.4 |
[M+Na-2H]- | 355.05029 | 174.7 |
[M]+ | 334.07507 | 181.3 |
[M]- | 334.07617 | 181.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.