CID 5274976
5-pentyl-2-phenoxyphenol
Structural Information
- Molecular Formula
- C17H20O2
- SMILES
- CCCCCC1=CC(=C(C=C1)OC2=CC=CC=C2)O
- InChI
- InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3
- InChIKey
- OJLYTHOKCYLPMA-UHFFFAOYSA-N
- Compound name
- 5-pentyl-2-phenoxyphenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 257.15361 | 160.2 |
[M+Na]+ | 279.13555 | 166.9 |
[M-H]- | 255.13905 | 165.4 |
[M+NH4]+ | 274.18015 | 176.6 |
[M+K]+ | 295.10949 | 162.5 |
[M+H-H2O]+ | 239.14359 | 152.7 |
[M+HCOO]- | 301.14453 | 182.5 |
[M+CH3COO]- | 315.16018 | 194.8 |
[M+Na-2H]- | 277.12100 | 164.8 |
[M]+ | 256.14578 | 162.1 |
[M]- | 256.14688 | 162.1 |