CID 137942226
2287330-95-2
Structural Information
- Molecular Formula
- C15H18O2
- SMILES
- C1CC2(C1)C(CC2=O)COCC3=CC=CC=C3
- InChI
- InChI=1S/C15H18O2/c16-14-9-13(15(14)7-4-8-15)11-17-10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
- InChIKey
- DESNUXHIFVAVJV-UHFFFAOYSA-N
- Compound name
- 1-(phenylmethoxymethyl)spiro[3.3]heptan-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 231.13796 | 139.7 |
[M+Na]+ | 253.11990 | 144.3 |
[M-H]- | 229.12340 | 147.6 |
[M+NH4]+ | 248.16450 | 146.7 |
[M+K]+ | 269.09384 | 147.2 |
[M+H-H2O]+ | 213.12794 | 125.3 |
[M+HCOO]- | 275.12888 | 158.5 |
[M+CH3COO]- | 289.14453 | 201.4 |
[M+Na-2H]- | 251.10535 | 145.3 |
[M]+ | 230.13013 | 156.0 |
[M]- | 230.13123 | 156.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.