CID 69035
Propyl p-toluenesulfonate
Structural Information
- Molecular Formula
- C10H14O3S
- SMILES
- CCCOS(=O)(=O)C1=CC=C(C=C1)C
- InChI
- InChI=1S/C10H14O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
- InChIKey
- JTTWNTXHFYNETH-UHFFFAOYSA-N
- Compound name
- propyl 4-methylbenzenesulfonate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 215.07364 | 146.2 |
[M+Na]+ | 237.05558 | 158.1 |
[M+NH4]+ | 232.10018 | 154.1 |
[M+K]+ | 253.02952 | 150.4 |
[M-H]- | 213.05908 | 147.2 |
[M+Na-2H]- | 235.04103 | 151.9 |
[M]+ | 214.06581 | 148.7 |
[M]- | 214.06691 | 148.7 |