CID 14065772
9-oxabicyclo[4.2.1]nonan-2-one
Structural Information
- Molecular Formula
- C8H12O2
- SMILES
- C1CC2CCC(O2)C(=O)C1
- InChI
- InChI=1S/C8H12O2/c9-7-3-1-2-6-4-5-8(7)10-6/h6,8H,1-5H2
- InChIKey
- ICGPXFYZBUHKGI-UHFFFAOYSA-N
- Compound name
- 9-oxabicyclo[4.2.1]nonan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 141.09100 | 123.5 |
[M+Na]+ | 163.07294 | 128.5 |
[M-H]- | 139.07644 | 127.9 |
[M+NH4]+ | 158.11754 | 145.6 |
[M+K]+ | 179.04688 | 131.0 |
[M+H-H2O]+ | 123.08098 | 120.3 |
[M+HCOO]- | 185.08192 | 142.1 |
[M+CH3COO]- | 199.09757 | 175.0 |
[M+Na-2H]- | 161.05839 | 130.0 |
[M]+ | 140.08317 | 118.8 |
[M]- | 140.08427 | 118.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.