CID 214935
3-(4-methyl-1-piperazinyl)propyl 2,2,4,4-tetramethylvalerate dimethiodide
Structural Information
- Molecular Formula
- C19H40N2O2
- SMILES
- CC(C)(C)CC(C)(C)C(=O)OCCC[N+]1(CC[N+](CC1)(C)C)C
- InChI
- InChI=1S/C19H40N2O2/c1-18(2,3)16-19(4,5)17(22)23-15-9-10-21(8)13-11-20(6,7)12-14-21/h9-16H2,1-8H3/q+2
- InChIKey
- ABXOEWBPKPJQHI-UHFFFAOYSA-N
- Compound name
- 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2,4,4-tetramethylpentanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 329.31628 | 176.8 |
[M+Na]+ | 351.29822 | 180.6 |
[M-H]- | 327.30172 | 177.1 |
[M+NH4]+ | 346.34282 | 192.5 |
[M+K]+ | 367.27216 | 168.5 |
[M+H-H2O]+ | 311.30626 | 177.2 |
[M+HCOO]- | 373.30720 | 187.0 |
[M+CH3COO]- | 387.32285 | 198.5 |
[M+Na-2H]- | 349.28367 | 185.7 |
[M]+ | 328.30845 | 175.2 |
[M]- | 328.30955 | 175.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.