CID 14965922
3-(methoxycarbonyl)cubane-1-carboxylic acid
Structural Information
- Molecular Formula
- C11H10O4
- SMILES
- COC(=O)C12C3C4C1C5(C4C3C25)C(=O)O
- InChI
- InChI=1S/C11H10O4/c1-15-9(14)11-5-2-4-3(5)7(11)10(4,6(2)11)8(12)13/h2-7H,1H3,(H,12,13)
- InChIKey
- AHKHDYQFYSCVNG-UHFFFAOYSA-N
- Compound name
- 3-methoxycarbonylcubane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 207.06518 | 217.4 |
[M+Na]+ | 229.04712 | 212.1 |
[M+NH4]+ | 224.09172 | 213.3 |
[M+K]+ | 245.02106 | 210.2 |
[M-H]- | 205.05062 | 212.4 |
[M+Na-2H]- | 227.03257 | 208.9 |
[M]+ | 206.05735 | 213.3 |
[M]- | 206.05845 | 213.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.