CID 101881096
Propanedioic acid, ethyl 2,6,6-trimethylcycloheptyl ester
Structural Information
- Molecular Formula
- C15H26O4
- SMILES
- CCOC(=O)CC(=O)OC1CC(CCCC1C)(C)C
- InChI
- InChI=1S/C15H26O4/c1-5-18-13(16)9-14(17)19-12-10-15(3,4)8-6-7-11(12)2/h11-12H,5-10H2,1-4H3
- InChIKey
- FRWGFRILAOICFF-UHFFFAOYSA-N
- Compound name
- 1-O-ethyl 3-O-(2,6,6-trimethylcycloheptyl) propanedioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 271.19038 | 156.4 |
[M+Na]+ | 293.17232 | 159.1 |
[M-H]- | 269.17582 | 160.2 |
[M+NH4]+ | 288.21692 | 173.6 |
[M+K]+ | 309.14626 | 163.1 |
[M+H-H2O]+ | 253.18036 | 151.9 |
[M+HCOO]- | 315.18130 | 173.4 |
[M+CH3COO]- | 329.19695 | 199.9 |
[M+Na-2H]- | 291.15777 | 156.5 |
[M]+ | 270.18255 | 155.1 |
[M]- | 270.18365 | 155.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.