CID 40212
Brn 2746052
Structural Information
- Molecular Formula
- C17H27NO3
- SMILES
- CCOC(=O)C1=C(C=CC(=C1OCCN(C)C)C(C)C)C
- InChI
- InChI=1S/C17H27NO3/c1-7-20-17(19)15-13(4)8-9-14(12(2)3)16(15)21-11-10-18(5)6/h8-9,12H,7,10-11H2,1-6H3
- InChIKey
- LGUQLTCUYSWFIN-UHFFFAOYSA-N
- Compound name
- ethyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 294.20638 | 171.9 |
[M+Na]+ | 316.18832 | 177.7 |
[M-H]- | 292.19182 | 176.7 |
[M+NH4]+ | 311.23292 | 188.3 |
[M+K]+ | 332.16226 | 177.3 |
[M+H-H2O]+ | 276.19636 | 164.7 |
[M+HCOO]- | 338.19730 | 194.2 |
[M+CH3COO]- | 352.21295 | 213.6 |
[M+Na-2H]- | 314.17377 | 170.9 |
[M]+ | 293.19855 | 178.7 |
[M]- | 293.19965 | 178.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.