CID 2288503
3,3-bis(4-hydroxyphenyl)pentane
Structural Information
- Molecular Formula
- C17H20O2
- SMILES
- CCC(CC)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
- InChI
- InChI=1S/C17H20O2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,18-19H,3-4H2,1-2H3
- InChIKey
- RKSBPFMNOJWYSB-UHFFFAOYSA-N
- Compound name
- 4-[3-(4-hydroxyphenyl)pentan-3-yl]phenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 257.15361 | 160.6 |
[M+Na]+ | 279.13555 | 167.3 |
[M-H]- | 255.13905 | 164.7 |
[M+NH4]+ | 274.18015 | 176.4 |
[M+K]+ | 295.10949 | 162.6 |
[M+H-H2O]+ | 239.14359 | 154.1 |
[M+HCOO]- | 301.14453 | 179.8 |
[M+CH3COO]- | 315.16018 | 192.7 |
[M+Na-2H]- | 277.12100 | 165.5 |
[M]+ | 256.14578 | 160.2 |
[M]- | 256.14688 | 160.2 |