CID 11400934
5-ethyl-1,3-dioxane-5-carboxylic acid
Structural Information
- Molecular Formula
- C7H12O4
- SMILES
- CCC1(COCOC1)C(=O)O
- InChI
- InChI=1S/C7H12O4/c1-2-7(6(8)9)3-10-5-11-4-7/h2-5H2,1H3,(H,8,9)
- InChIKey
- FVXGELAKGGRRIC-UHFFFAOYSA-N
- Compound name
- 5-ethyl-1,3-dioxane-5-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 161.08084 | 132.7 |
[M+Na]+ | 183.06278 | 142.4 |
[M+NH4]+ | 178.10738 | 141.2 |
[M+K]+ | 199.03672 | 137.4 |
[M-H]- | 159.06628 | 135.2 |
[M+Na-2H]- | 181.04823 | 137.0 |
[M]+ | 160.07301 | 134.7 |
[M]- | 160.07411 | 134.7 |
Literature stripe
No literature data available for this compound.