CID 4059
Mephenesin
Structural Information
- Molecular Formula
- C10H14O3
- SMILES
- CC1=CC=CC=C1OCC(CO)O
- InChI
- InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
- InChIKey
- JWDYCNIAQWPBHD-UHFFFAOYSA-N
- Compound name
- 3-(2-methylphenoxy)propane-1,2-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.10158 | 139.0 |
[M+Na]+ | 205.08352 | 150.3 |
[M+NH4]+ | 200.12812 | 146.5 |
[M+K]+ | 221.05746 | 145.2 |
[M-H]- | 181.08702 | 139.7 |
[M+Na-2H]- | 203.06897 | 144.4 |
[M]+ | 182.09375 | 140.6 |
[M]- | 182.09485 | 140.6 |