CID 162776482
Tert-butyl oct-7-ynoate
Structural Information
- Molecular Formula
- C12H20O2
- SMILES
- CC(C)(C)OC(=O)CCCCCC#C
- InChI
- InChI=1S/C12H20O2/c1-5-6-7-8-9-10-11(13)14-12(2,3)4/h1H,6-10H2,2-4H3
- InChIKey
- ZJFBCUAGFPNVQE-UHFFFAOYSA-N
- Compound name
- tert-butyl oct-7-ynoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 197.15361 | 146.9 |
[M+Na]+ | 219.13555 | 155.0 |
[M-H]- | 195.13905 | 146.5 |
[M+NH4]+ | 214.18015 | 164.7 |
[M+K]+ | 235.10949 | 153.3 |
[M+H-H2O]+ | 179.14359 | 136.4 |
[M+HCOO]- | 241.14453 | 162.0 |
[M+CH3COO]- | 255.16018 | 194.1 |
[M+Na-2H]- | 217.12100 | 150.0 |
[M]+ | 196.14578 | 145.3 |
[M]- | 196.14688 | 145.3 |
Literature stripe
No literature data available for this compound.