CID 316726
Spiro[3.5]nonan-5-one
Structural Information
- Molecular Formula
- C9H14O
- SMILES
- C1CCC2(CCC2)C(=O)C1
- InChI
- InChI=1S/C9H14O/c10-8-4-1-2-5-9(8)6-3-7-9/h1-7H2
- InChIKey
- IPJCEPFNIQBJSQ-UHFFFAOYSA-N
- Compound name
- spiro[3.5]nonan-9-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 139.11174 | 124.7 |
[M+Na]+ | 161.09368 | 129.6 |
[M-H]- | 137.09718 | 130.0 |
[M+NH4]+ | 156.13828 | 142.1 |
[M+K]+ | 177.06762 | 131.2 |
[M+H-H2O]+ | 121.10172 | 115.5 |
[M+HCOO]- | 183.10266 | 143.9 |
[M+CH3COO]- | 197.11831 | 175.4 |
[M+Na-2H]- | 159.07913 | 131.6 |
[M]+ | 138.10391 | 128.1 |
[M]- | 138.10501 | 128.1 |
Literature stripe
No literature data available for this compound.