CID 74465
Ethyl 2,4,6-trimethylbenzoate
Structural Information
- Molecular Formula
- C12H16O2
- SMILES
- CCOC(=O)C1=C(C=C(C=C1C)C)C
- InChI
- InChI=1S/C12H16O2/c1-5-14-12(13)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3
- InChIKey
- ZXTXIZPSMQCYBN-UHFFFAOYSA-N
- Compound name
- ethyl 2,4,6-trimethylbenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 193.12232 | 140.5 |
[M+Na]+ | 215.10426 | 149.7 |
[M-H]- | 191.10776 | 145.0 |
[M+NH4]+ | 210.14886 | 161.1 |
[M+K]+ | 231.07820 | 148.1 |
[M+H-H2O]+ | 175.11230 | 135.2 |
[M+HCOO]- | 237.11324 | 163.9 |
[M+CH3COO]- | 251.12889 | 187.2 |
[M+Na-2H]- | 213.08971 | 144.1 |
[M]+ | 192.11449 | 144.3 |
[M]- | 192.11559 | 144.3 |