CID 9849029
Hydroxyethyl behenamidopropyl dimonium chloride
Structural Information
- Molecular Formula
- C29H61N2O2
- SMILES
- CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO
- InChI
- InChI=1S/C29H60N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(33)30-25-23-26-31(2,3)27-28-32/h32H,4-28H2,1-3H3/p+1
- InChIKey
- MLZMLZQTXPKIGX-UHFFFAOYSA-O
- Compound name
- 3-(docosanoylamino)propyl-(2-hydroxyethyl)-dimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 470.48058 | 252.6 |
[M+Na]+ | 492.46252 | 259.4 |
[M-H]- | 468.46602 | 242.5 |
[M+NH4]+ | 487.50712 | 249.7 |
[M+K]+ | 508.43646 | 255.4 |
[M+H-H2O]+ | 452.47056 | 244.1 |
[M+HCOO]- | 514.47150 | 262.1 |
[M+CH3COO]- | 528.48715 | 242.2 |
[M+Na-2H]- | 490.44797 | 236.8 |
[M]+ | 469.47275 | 248.7 |
[M]- | 469.47385 | 248.7 |
Literature stripe
No literature data available for this compound.