CID 69895
5,5-dimethyl-2-phenyl-1,3-dioxane
Structural Information
- Molecular Formula
- C12H16O2
- SMILES
- CC1(COC(OC1)C2=CC=CC=C2)C
- InChI
- InChI=1S/C12H16O2/c1-12(2)8-13-11(14-9-12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
- InChIKey
- VUJMMVJKRWURKX-UHFFFAOYSA-N
- Compound name
- 5,5-dimethyl-2-phenyl-1,3-dioxane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 193.12232 | 141.5 |
[M+Na]+ | 215.10426 | 148.0 |
[M-H]- | 191.10776 | 149.3 |
[M+NH4]+ | 210.14886 | 160.2 |
[M+K]+ | 231.07820 | 148.7 |
[M+H-H2O]+ | 175.11230 | 135.3 |
[M+HCOO]- | 237.11324 | 160.9 |
[M+CH3COO]- | 251.12889 | 181.9 |
[M+Na-2H]- | 213.08971 | 149.8 |
[M]+ | 192.11449 | 140.4 |
[M]- | 192.11559 | 140.4 |