CID 6428758
37722-78-4
Structural Information
- Molecular Formula
- C12H20O2
- SMILES
- CCOC(=O)/C=C/1\CCCC(C1)(C)C
- InChI
- InChI=1S/C12H20O2/c1-4-14-11(13)8-10-6-5-7-12(2,3)9-10/h8H,4-7,9H2,1-3H3/b10-8+
- InChIKey
- BKHNGPZOPOPDCJ-CSKARUKUSA-N
- Compound name
- ethyl (2E)-2-(3,3-dimethylcyclohexylidene)acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 197.15361 | 145.8 |
[M+Na]+ | 219.13555 | 151.2 |
[M-H]- | 195.13905 | 148.7 |
[M+NH4]+ | 214.18015 | 167.3 |
[M+K]+ | 235.10949 | 149.9 |
[M+H-H2O]+ | 179.14359 | 141.1 |
[M+HCOO]- | 241.14453 | 164.9 |
[M+CH3COO]- | 255.16018 | 184.0 |
[M+Na-2H]- | 217.12100 | 148.8 |
[M]+ | 196.14578 | 143.9 |
[M]- | 196.14688 | 143.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.