CID 155894926
Methyl 1-formyl-2-oxabicyclo[2.2.2]octane-4-carboxylate
Structural Information
- Molecular Formula
- C10H14O4
- SMILES
- COC(=O)C12CCC(CC1)(OC2)C=O
- InChI
- InChI=1S/C10H14O4/c1-13-8(12)9-2-4-10(6-11,5-3-9)14-7-9/h6H,2-5,7H2,1H3
- InChIKey
- TWZDLUXMPODCOG-UHFFFAOYSA-N
- Compound name
- methyl 1-formyl-2-oxabicyclo[2.2.2]octane-4-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 199.09648 | 141.3 |
[M+Na]+ | 221.07842 | 146.6 |
[M-H]- | 197.08192 | 138.8 |
[M+NH4]+ | 216.12302 | 167.2 |
[M+K]+ | 237.05236 | 146.7 |
[M+H-H2O]+ | 181.08646 | 136.9 |
[M+HCOO]- | 243.08740 | 152.1 |
[M+CH3COO]- | 257.10305 | 185.7 |
[M+Na-2H]- | 219.06387 | 154.7 |
[M]+ | 198.08865 | 145.5 |
[M]- | 198.08975 | 145.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.