CID 209272
19653-55-5
Structural Information
- Molecular Formula
- C27H46N2
- SMILES
- C[N+]1(CCCCC1)CCCCCCC[N+]23CCC(CC2)C(C3)CC4=CC=CC=C4
- InChI
- InChI=1S/C27H46N2/c1-28(18-10-6-11-19-28)17-9-3-2-4-12-20-29-21-15-26(16-22-29)27(24-29)23-25-13-7-5-8-14-25/h5,7-8,13-14,26-27H,2-4,6,9-12,15-24H2,1H3/q+2
- InChIKey
- GFNJZVAXUOIFGD-UHFFFAOYSA-N
- Compound name
- 3-benzyl-1-[7-(1-methylpiperidin-1-ium-1-yl)heptyl]-1-azoniabicyclo[2.2.2]octane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 399.37338 | 201.4 |
[M+Na]+ | 421.35532 | 198.1 |
[M-H]- | 397.35882 | 198.4 |
[M+NH4]+ | 416.39992 | 215.9 |
[M+K]+ | 437.32926 | 180.8 |
[M+H-H2O]+ | 381.36336 | 192.6 |
[M+HCOO]- | 443.36430 | 202.0 |
[M+CH3COO]- | 457.37995 | 215.6 |
[M+Na-2H]- | 419.34077 | 209.0 |
[M]+ | 398.36555 | 194.7 |
[M]- | 398.36665 | 194.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.