CID 106763
67674-38-8
Structural Information
- Molecular Formula
- C13H20O3
- SMILES
- CCOC(=O)C1(CC=C(CC1C)C)C(=O)C
- InChI
- InChI=1S/C13H20O3/c1-5-16-12(15)13(11(4)14)7-6-9(2)8-10(13)3/h6,10H,5,7-8H2,1-4H3
- InChIKey
- IBMDADQQJZKLJI-UHFFFAOYSA-N
- Compound name
- ethyl 1-acetyl-4,6-dimethylcyclohex-3-ene-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 225.14853 | 149.6 |
[M+Na]+ | 247.13047 | 156.2 |
[M-H]- | 223.13397 | 153.1 |
[M+NH4]+ | 242.17507 | 170.2 |
[M+K]+ | 263.10441 | 155.5 |
[M+H-H2O]+ | 207.13851 | 145.0 |
[M+HCOO]- | 269.13945 | 169.1 |
[M+CH3COO]- | 283.15510 | 191.4 |
[M+Na-2H]- | 245.11592 | 151.5 |
[M]+ | 224.14070 | 151.0 |
[M]- | 224.14180 | 151.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.