CID 11788648
595-31-3
Structural Information
- Molecular Formula
- C10H14O3
- SMILES
- C[C@]12CC[C@H](C1(C)C)C(=O)OC2=O
- InChI
- InChI=1S/C10H14O3/c1-9(2)6-4-5-10(9,3)8(12)13-7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m0/s1
- InChIKey
- VFZDNKRDYPTSTP-QUBYGPBYSA-N
- Compound name
- (1S,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.10158 | 137.6 |
[M+Na]+ | 205.08352 | 147.9 |
[M+NH4]+ | 200.12812 | 149.1 |
[M+K]+ | 221.05746 | 141.0 |
[M-H]- | 181.08702 | 139.0 |
[M+Na-2H]- | 203.06897 | 141.5 |
[M]+ | 182.09375 | 139.6 |
[M]- | 182.09485 | 139.6 |
Literature stripe
No literature data available for this compound.