CID 113945
3-(4-ethoxyphenoxy)propane-1,2-diol
Structural Information
- Molecular Formula
- C11H16O4
- SMILES
- CCOC1=CC=C(C=C1)OCC(CO)O
- InChI
- InChI=1S/C11H16O4/c1-2-14-10-3-5-11(6-4-10)15-8-9(13)7-12/h3-6,9,12-13H,2,7-8H2,1H3
- InChIKey
- DINCGSAOSQJWSV-UHFFFAOYSA-N
- Compound name
- 3-(4-ethoxyphenoxy)propane-1,2-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 213.11214 | 146.6 |
[M+Na]+ | 235.09408 | 152.7 |
[M-H]- | 211.09758 | 147.3 |
[M+NH4]+ | 230.13868 | 163.9 |
[M+K]+ | 251.06802 | 151.1 |
[M+H-H2O]+ | 195.10212 | 140.6 |
[M+HCOO]- | 257.10306 | 167.3 |
[M+CH3COO]- | 271.11871 | 182.3 |
[M+Na-2H]- | 233.07953 | 150.8 |
[M]+ | 212.10431 | 149.0 |
[M]- | 212.10541 | 149.0 |
Literature stripe
Patent stripe
No patent data available for this compound.