CID 165359316
1,1,3-triethoxydodecane
Structural Information
- Molecular Formula
- C18H38O3
- SMILES
- CCCCCCCCCC(CC(OCC)OCC)OCC
- InChI
- InChI=1S/C18H38O3/c1-5-9-10-11-12-13-14-15-17(19-6-2)16-18(20-7-3)21-8-4/h17-18H,5-16H2,1-4H3
- InChIKey
- AYRUCMLFPNCLDV-UHFFFAOYSA-N
- Compound name
- 1,1,3-triethoxydodecane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 303.28938 | 184.3 |
[M+Na]+ | 325.27132 | 186.0 |
[M-H]- | 301.27482 | 182.4 |
[M+NH4]+ | 320.31592 | 199.5 |
[M+K]+ | 341.24526 | 185.0 |
[M+H-H2O]+ | 285.27936 | 177.3 |
[M+HCOO]- | 347.28030 | 202.8 |
[M+CH3COO]- | 361.29595 | 210.6 |
[M+Na-2H]- | 323.25677 | 182.3 |
[M]+ | 302.28155 | 193.2 |
[M]- | 302.28265 | 193.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.