CID 131954508
6,6-dimethyl-1,4-dioxane-2-carboxylic acid
Structural Information
- Molecular Formula
- C7H12O4
- SMILES
- CC1(COCC(O1)C(=O)O)C
- InChI
- InChI=1S/C7H12O4/c1-7(2)4-10-3-5(11-7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
- InChIKey
- MXCQFTXJYUCZBY-UHFFFAOYSA-N
- Compound name
- 6,6-dimethyl-1,4-dioxane-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 161.08084 | 131.9 |
[M+Na]+ | 183.06278 | 142.0 |
[M+NH4]+ | 178.10738 | 140.5 |
[M+K]+ | 199.03672 | 137.3 |
[M-H]- | 159.06628 | 134.5 |
[M+Na-2H]- | 181.04823 | 136.1 |
[M]+ | 160.07301 | 134.0 |
[M]- | 160.07411 | 134.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.