CID 64175224
2-(3-hydroxyoxan-3-yl)acetic acid
Structural Information
- Molecular Formula
- C7H12O4
- SMILES
- C1CC(COC1)(CC(=O)O)O
- InChI
- InChI=1S/C7H12O4/c8-6(9)4-7(10)2-1-3-11-5-7/h10H,1-5H2,(H,8,9)
- InChIKey
- HTPPTUMNBCLHCG-UHFFFAOYSA-N
- Compound name
- 2-(3-hydroxyoxan-3-yl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 161.08084 | 133.2 |
[M+Na]+ | 183.06278 | 142.0 |
[M+NH4]+ | 178.10738 | 141.5 |
[M+K]+ | 199.03672 | 137.0 |
[M-H]- | 159.06628 | 133.9 |
[M+Na-2H]- | 181.04823 | 137.4 |
[M]+ | 160.07301 | 134.4 |
[M]- | 160.07411 | 134.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.