CID 19007
3486-38-2
Structural Information
- Molecular Formula
- C21H34NO2
- SMILES
- CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2
- InChI
- InChI=1S/C21H34NO2/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19-20H,4-5,7,10-11,14-17H2,1-3H3/q+1
- InChIKey
- XSGBQYOBOAAWCG-UHFFFAOYSA-N
- Compound name
- 2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 333.26622 | 185.0 |
[M+Na]+ | 355.24816 | 184.8 |
[M-H]- | 331.25166 | 190.7 |
[M+NH4]+ | 350.29276 | 198.2 |
[M+K]+ | 371.22210 | 176.9 |
[M+H-H2O]+ | 315.25620 | 179.1 |
[M+HCOO]- | 377.25714 | 201.6 |
[M+CH3COO]- | 391.27279 | 209.2 |
[M+Na-2H]- | 353.23361 | 187.7 |
[M]+ | 332.25839 | 181.9 |
[M]- | 332.25949 | 181.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.