CID 155970603
Methyl 2-formylspiro[3.5]nonane-7-carboxylate
Structural Information
- Molecular Formula
- C12H18O3
- SMILES
- COC(=O)C1CCC2(CC1)CC(C2)C=O
- InChI
- InChI=1S/C12H18O3/c1-15-11(14)10-2-4-12(5-3-10)6-9(7-12)8-13/h8-10H,2-7H2,1H3
- InChIKey
- PRKPHGMPVYXHSD-UHFFFAOYSA-N
- Compound name
- methyl 2-formylspiro[3.5]nonane-7-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 211.13288 | 144.2 |
[M+Na]+ | 233.11482 | 148.3 |
[M-H]- | 209.11832 | 149.1 |
[M+NH4]+ | 228.15942 | 158.6 |
[M+K]+ | 249.08876 | 150.2 |
[M+H-H2O]+ | 193.12286 | 134.3 |
[M+HCOO]- | 255.12380 | 161.7 |
[M+CH3COO]- | 269.13945 | 188.5 |
[M+Na-2H]- | 231.10027 | 147.5 |
[M]+ | 210.12505 | 150.3 |
[M]- | 210.12615 | 150.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.