CID 54691111
Schembl6175954
Structural Information
- Molecular Formula
- C19H22O4
- SMILES
- CCC(C1=CC=CC=C1)C2=C(CC3(CCC(=O)CC3)OC2=O)O
- InChI
- InChI=1S/C19H22O4/c1-2-15(13-6-4-3-5-7-13)17-16(21)12-19(23-18(17)22)10-8-14(20)9-11-19/h3-7,15,21H,2,8-12H2,1H3
- InChIKey
- ZIKPPEDZEZAZPF-UHFFFAOYSA-N
- Compound name
- 4-hydroxy-3-(1-phenylpropyl)-1-oxaspiro[5.5]undec-3-ene-2,9-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 315.15908 | 173.8 |
[M+Na]+ | 337.14102 | 178.6 |
[M-H]- | 313.14452 | 181.0 |
[M+NH4]+ | 332.18562 | 188.1 |
[M+K]+ | 353.11496 | 176.0 |
[M+H-H2O]+ | 297.14906 | 165.9 |
[M+HCOO]- | 359.15000 | 188.3 |
[M+CH3COO]- | 373.16565 | 203.4 |
[M+Na-2H]- | 335.12647 | 175.5 |
[M]+ | 314.15125 | 169.6 |
[M]- | 314.15235 | 169.6 |