CID 89692975
1447943-70-5
Structural Information
- Molecular Formula
- C7H12O4
- SMILES
- C1CCOC(C1)(CO)C(=O)O
- InChI
- InChI=1S/C7H12O4/c8-5-7(6(9)10)3-1-2-4-11-7/h8H,1-5H2,(H,9,10)
- InChIKey
- CJAZNMZJDMQBKU-UHFFFAOYSA-N
- Compound name
- 2-(hydroxymethyl)oxane-2-carboxylic 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.