CID 85173
2-methyl-3-phenoxypropane-1,2-diol
Structural Information
- Molecular Formula
- C10H14O3
- SMILES
- CC(CO)(COC1=CC=CC=C1)O
- InChI
- InChI=1S/C10H14O3/c1-10(12,7-11)8-13-9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3
- InChIKey
- FDXOWEXWCPILKM-UHFFFAOYSA-N
- Compound name
- 2-methyl-3-phenoxypropane-1,2-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.10158 | 139.2 |
[M+Na]+ | 205.08352 | 150.2 |
[M+NH4]+ | 200.12812 | 146.7 |
[M+K]+ | 221.05746 | 145.3 |
[M-H]- | 181.08702 | 139.4 |
[M+Na-2H]- | 203.06897 | 145.1 |
[M]+ | 182.09375 | 140.7 |
[M]- | 182.09485 | 140.7 |
Literature stripe
No literature data available for this compound.