CID 72153
Tolmesoxide
Structural Information
- Molecular Formula
- C10H14O3S
- SMILES
- CC1=CC(=C(C=C1S(=O)C)OC)OC
- InChI
- InChI=1S/C10H14O3S/c1-7-5-8(12-2)9(13-3)6-10(7)14(4)11/h5-6H,1-4H3
- InChIKey
- OZNTVIXYGTUPJY-UHFFFAOYSA-N
- Compound name
- 1,2-dimethoxy-4-methyl-5-methylsulfinylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 215.07364 | 145.1 |
[M+Na]+ | 237.05558 | 157.6 |
[M+NH4]+ | 232.10018 | 153.3 |
[M+K]+ | 253.02952 | 150.1 |
[M-H]- | 213.05908 | 146.8 |
[M+Na-2H]- | 235.04103 | 150.2 |
[M]+ | 214.06581 | 147.8 |
[M]- | 214.06691 | 147.8 |