CID 54772595
(4-phenyloxan-4-yl)methanol
Structural Information
- Molecular Formula
- C12H16O2
- SMILES
- C1COCCC1(CO)C2=CC=CC=C2
- InChI
- InChI=1S/C12H16O2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5,13H,6-10H2
- InChIKey
- OHKBZOSLGDHFQS-UHFFFAOYSA-N
- Compound name
- (4-phenyloxan-4-yl)methanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 193.12232 | 142.7 |
[M+Na]+ | 215.10426 | 147.7 |
[M-H]- | 191.10776 | 148.0 |
[M+NH4]+ | 210.14886 | 161.6 |
[M+K]+ | 231.07820 | 146.4 |
[M+H-H2O]+ | 175.11230 | 136.4 |
[M+HCOO]- | 237.11324 | 161.5 |
[M+CH3COO]- | 251.12889 | 178.0 |
[M+Na-2H]- | 213.08971 | 150.3 |
[M]+ | 192.11449 | 138.7 |
[M]- | 192.11559 | 138.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.