CID 10103235
(1s,4s)-bicyclo[2.2.2]octane-2,5-dione
Structural Information
- Molecular Formula
- C8H10O2
- SMILES
- C1C[C@H]2CC(=O)[C@@H]1CC2=O
- InChI
- InChI=1S/C8H10O2/c9-7-4-6-2-1-5(7)3-8(6)10/h5-6H,1-4H2/t5-,6-/m0/s1
- InChIKey
- WMJKUNDVKHUCMV-WDSKDSINSA-N
- Compound name
- (1S,4S)-bicyclo[2.2.2]octane-2,5-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 139.07536 | 124.5 |
[M+Na]+ | 161.05730 | 130.5 |
[M-H]- | 137.06080 | 122.0 |
[M+NH4]+ | 156.10190 | 150.9 |
[M+K]+ | 177.03124 | 128.8 |
[M+H-H2O]+ | 121.06534 | 121.0 |
[M+HCOO]- | 183.06628 | 137.8 |
[M+CH3COO]- | 197.08193 | 136.9 |
[M+Na-2H]- | 159.04275 | 136.1 |
[M]+ | 138.06753 | 125.3 |
[M]- | 138.06863 | 125.3 |