CID 14108776
(6r)-10-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one
Structural Information
- Molecular Formula
- C15H21ClO
- SMILES
- CC1=C(C[C@@]2(CC1)C(=CC(=O)CC2(C)C)C)Cl
- InChI
- InChI=1S/C15H21ClO/c1-10-5-6-15(9-13(10)16)11(2)7-12(17)8-14(15,3)4/h7H,5-6,8-9H2,1-4H3/t15-/m0/s1
- InChIKey
- OEZOQISFVZCWKU-HNNXBMFYSA-N
- Compound name
- (6R)-10-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 253.13538 | 153.1 |
[M+Na]+ | 275.11732 | 162.7 |
[M-H]- | 251.12082 | 159.2 |
[M+NH4]+ | 270.16192 | 176.4 |
[M+K]+ | 291.09126 | 157.9 |
[M+H-H2O]+ | 235.12536 | 149.1 |
[M+HCOO]- | 297.12630 | 167.4 |
[M+CH3COO]- | 311.14195 | 195.5 |
[M+Na-2H]- | 273.10277 | 156.7 |
[M]+ | 252.12755 | 152.6 |
[M]- | 252.12865 | 152.6 |
Literature stripe
Patent stripe
No patent data available for this compound.