CID 122164837
Methyl-4-hydroxybenzoate sulfate
Structural Information
- Molecular Formula
- C8H8O6S
- SMILES
- COC(=O)C1=CC=C(C=C1)OS(=O)(=O)O
- InChI
- InChI=1S/C8H8O6S/c1-13-8(9)6-2-4-7(5-3-6)14-15(10,11)12/h2-5H,1H3,(H,10,11,12)
- InChIKey
- IBEAHXYYSZWGED-UHFFFAOYSA-N
- Compound name
- methyl 4-sulfooxybenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 233.01145 | 143.8 |
[M+Na]+ | 254.99339 | 152.3 |
[M-H]- | 230.99689 | 146.8 |
[M+NH4]+ | 250.03799 | 161.3 |
[M+K]+ | 270.96733 | 151.0 |
[M+H-H2O]+ | 215.00143 | 138.3 |
[M+HCOO]- | 277.00237 | 161.2 |
[M+CH3COO]- | 291.01802 | 181.2 |
[M+Na-2H]- | 252.97884 | 148.3 |
[M]+ | 232.00362 | 149.3 |
[M]- | 232.00472 | 149.3 |