CID 165655262
2228457-50-7
Structural Information
- Molecular Formula
- C7H12O4
- SMILES
- CC1(COC1)C(C(=O)OC)O
- InChI
- InChI=1S/C7H12O4/c1-7(3-11-4-7)5(8)6(9)10-2/h5,8H,3-4H2,1-2H3
- InChIKey
- FXCHZKFMLHCPFC-UHFFFAOYSA-N
- Compound name
- methyl 2-hydroxy-2-(3-methyloxetan-3-yl)acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 161.08084 | 135.1 |
[M+Na]+ | 183.06278 | 139.5 |
[M+NH4]+ | 178.10738 | 139.0 |
[M+K]+ | 199.03672 | 137.1 |
[M-H]- | 159.06628 | 132.5 |
[M+Na-2H]- | 181.04823 | 136.4 |
[M]+ | 160.07301 | 133.6 |
[M]- | 160.07411 | 133.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.