CID 174170
Sintropium bromide
Structural Information
- Molecular Formula
- C19H36NO2
- SMILES
- CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C(C)C
- InChI
- InChI=1S/C19H36NO2/c1-6-8-15(9-7-2)19(21)22-18-12-16-10-11-17(13-18)20(16,5)14(3)4/h14-18H,6-13H2,1-5H3/q+1/t16-,17+,18?,20?
- InChIKey
- NCCCVLZKNQKUCJ-ZVBHREPYSA-N
- Compound name
- [(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 311.28188 | 181.6 |
[M+Na]+ | 333.26382 | 184.3 |
[M-H]- | 309.26732 | 181.6 |
[M+NH4]+ | 328.30842 | 200.4 |
[M+K]+ | 349.23776 | 176.3 |
[M+H-H2O]+ | 293.27186 | 178.6 |
[M+HCOO]- | 355.27280 | 193.0 |
[M+CH3COO]- | 369.28845 | 203.9 |
[M+Na-2H]- | 331.24927 | 180.8 |
[M]+ | 310.27405 | 180.5 |
[M]- | 310.27515 | 180.5 |
Literature stripe
Patent stripe
No patent data available for this compound.