CID 12550976
2,2-dimethoxyacetic acid
Structural Information
- Molecular Formula
- C4H8O4
- SMILES
- COC(C(=O)O)OC
- InChI
- InChI=1S/C4H8O4/c1-7-4(8-2)3(5)6/h4H,1-2H3,(H,5,6)
- InChIKey
- PHELOKYCCWVWFE-UHFFFAOYSA-N
- Compound name
- 2,2-dimethoxyacetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 121.04954 | 120.7 |
[M+Na]+ | 143.03148 | 128.1 |
[M-H]- | 119.03498 | 120.1 |
[M+NH4]+ | 138.07608 | 142.4 |
[M+K]+ | 159.00542 | 129.7 |
[M+H-H2O]+ | 103.03952 | 116.5 |
[M+HCOO]- | 165.04046 | 142.9 |
[M+CH3COO]- | 179.05611 | 167.2 |
[M+Na-2H]- | 141.01693 | 125.9 |
[M]+ | 120.04171 | 123.2 |
[M]- | 120.04281 | 123.2 |