CID 598985
Isopropyl 4-methylbenzenesulfonate
Structural Information
- Molecular Formula
- C10H14O3S
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)OC(C)C
- InChI
- InChI=1S/C10H14O3S/c1-8(2)13-14(11,12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
- InChIKey
- SDQCGKJCBWXRMK-UHFFFAOYSA-N
- Compound name
- propan-2-yl 4-methylbenzenesulfonate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 215.07364 | 146.0 |
[M+Na]+ | 237.05558 | 157.5 |
[M+NH4]+ | 232.10018 | 153.7 |
[M+K]+ | 253.02952 | 150.7 |
[M-H]- | 213.05908 | 146.7 |
[M+Na-2H]- | 235.04103 | 151.3 |
[M]+ | 214.06581 | 148.3 |
[M]- | 214.06691 | 148.3 |