CID 3066314
109964-28-5
Structural Information
- Molecular Formula
- C18H33N2O2
- SMILES
- CCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)CC#C
- InChI
- InChI=1S/C18H33N2O2/c1-4-7-8-9-10-11-15-20(14-5-2)16-12-19(13-17-20)18(21)22-6-3/h2H,4,6-17H2,1,3H3/q+1
- InChIKey
- RRCSLCBFMOLDGZ-UHFFFAOYSA-N
- Compound name
- ethyl 4-octyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 310.26148 | 171.3 |
[M+Na]+ | 332.24342 | 176.7 |
[M-H]- | 308.24692 | 169.3 |
[M+NH4]+ | 327.28802 | 183.7 |
[M+K]+ | 348.21736 | 167.1 |
[M+H-H2O]+ | 292.25146 | 160.1 |
[M+HCOO]- | 354.25240 | 180.5 |
[M+CH3COO]- | 368.26805 | 205.8 |
[M+Na-2H]- | 330.22887 | 173.4 |
[M]+ | 309.25365 | 165.6 |
[M]- | 309.25475 | 165.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.