CID 3017504
2,2-diethoxyacetic acid
Structural Information
- Molecular Formula
- C6H12O4
- SMILES
- CCOC(C(=O)O)OCC
- InChI
- InChI=1S/C6H12O4/c1-3-9-6(5(7)8)10-4-2/h6H,3-4H2,1-2H3,(H,7,8)
- InChIKey
- WFVKIANRKSZMGB-UHFFFAOYSA-N
- Compound name
- 2,2-diethoxyacetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 149.08084 | 130.2 |
[M+Na]+ | 171.06278 | 138.7 |
[M+NH4]+ | 166.10738 | 136.4 |
[M+K]+ | 187.03672 | 135.7 |
[M-H]- | 147.06628 | 127.5 |
[M+Na-2H]- | 169.04823 | 132.0 |
[M]+ | 148.07301 | 130.2 |
[M]- | 148.07411 | 130.2 |