CID 213008
24806-57-3
Structural Information
- Molecular Formula
- C10H13OS
- SMILES
- C[S+](C)CC(=O)C1=CC=CC=C1
- InChI
- InChI=1S/C10H13OS/c1-12(2)8-10(11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/q+1
- InChIKey
- JTNDNBUJMQNEGL-UHFFFAOYSA-N
- Compound name
- dimethyl(phenacyl)sulfanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 182.07599 | 137.5 |
[M+Na]+ | 204.05793 | 144.3 |
[M-H]- | 180.06143 | 141.6 |
[M+NH4]+ | 199.10253 | 157.7 |
[M+K]+ | 220.03187 | 136.7 |
[M+H-H2O]+ | 164.06597 | 134.6 |
[M+HCOO]- | 226.06691 | 154.6 |
[M+CH3COO]- | 240.08256 | 174.4 |
[M+Na-2H]- | 202.04338 | 141.7 |
[M]+ | 181.06816 | 138.0 |
[M]- | 181.06926 | 138.0 |