CID 16745070
Behenamidopropyltrimonium methosulfate
Structural Information
- Molecular Formula
- C28H59N2O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C
- InChI
- InChI=1S/C28H58N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(31)29-26-24-27-30(2,3)4/h5-27H2,1-4H3/p+1
- InChIKey
- UAAUSDFUCRVOQX-UHFFFAOYSA-O
- Compound name
- 3-(docosanoylamino)propyl-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 440.47002 | 249.5 |
[M+Na]+ | 462.45196 | 258.0 |
[M-H]- | 438.45546 | 239.6 |
[M+NH4]+ | 457.49656 | 248.2 |
[M+K]+ | 478.42590 | 253.6 |
[M+H-H2O]+ | 422.46000 | 219.4 |
[M+HCOO]- | 484.46094 | 261.0 |
[M+CH3COO]- | 498.47659 | 240.2 |
[M+Na-2H]- | 460.43741 | 224.0 |
[M]+ | 439.46219 | 247.3 |
[M]- | 439.46329 | 247.3 |
Literature stripe
No literature data available for this compound.