CID 31451
22644-54-8
Structural Information
- Molecular Formula
- C12H24O3
- SMILES
- CC(C)C1OCC(CO1)(C)COC(C)C
- InChI
- InChI=1S/C12H24O3/c1-9(2)11-14-7-12(5,8-15-11)6-13-10(3)4/h9-11H,6-8H2,1-5H3
- InChIKey
- BIBPEWWZUOEEMJ-UHFFFAOYSA-N
- Compound name
- 5-methyl-2-propan-2-yl-5-(propan-2-yloxymethyl)-1,3-dioxane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 217.17983 | 152.0 |
[M+Na]+ | 239.16177 | 156.5 |
[M-H]- | 215.16527 | 156.2 |
[M+NH4]+ | 234.20637 | 170.1 |
[M+K]+ | 255.13571 | 159.3 |
[M+H-H2O]+ | 199.16981 | 147.1 |
[M+HCOO]- | 261.17075 | 168.1 |
[M+CH3COO]- | 275.18640 | 190.1 |
[M+Na-2H]- | 237.14722 | 155.8 |
[M]+ | 216.17200 | 153.8 |
[M]- | 216.17310 | 153.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.