CID 51582
Brn 2462324
Structural Information
- Molecular Formula
- C14H20O2S
- SMILES
- CCOC(=O)CSC1=C(C(=CC(=C1C)C)C)C
- InChI
- InChI=1S/C14H20O2S/c1-6-16-13(15)8-17-14-11(4)9(2)7-10(3)12(14)5/h7H,6,8H2,1-5H3
- InChIKey
- ZKFKXGRGPXNTAT-UHFFFAOYSA-N
- Compound name
- ethyl 2-(2,3,5,6-tetramethylphenyl)sulfanylacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 253.12569 | 159.3 |
[M+Na]+ | 275.10763 | 171.9 |
[M+NH4]+ | 270.15223 | 167.5 |
[M+K]+ | 291.08157 | 163.2 |
[M-H]- | 251.11113 | 161.5 |
[M+Na-2H]- | 273.09308 | 163.7 |
[M]+ | 252.11786 | 162.3 |
[M]- | 252.11896 | 162.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.