CID 3068952
1-methyl-2-((phenoxyacetyl)oxy)propyl undecanoate
Structural Information
- Molecular Formula
- C23H36O5
- SMILES
- CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)COC1=CC=CC=C1
- InChI
- InChI=1S/C23H36O5/c1-4-5-6-7-8-9-10-14-17-22(24)27-19(2)20(3)28-23(25)18-26-21-15-12-11-13-16-21/h11-13,15-16,19-20H,4-10,14,17-18H2,1-3H3
- InChIKey
- RTACBFFTGVMKMY-UHFFFAOYSA-N
- Compound name
- 3-(2-phenoxyacetyl)oxybutan-2-yl undecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 393.26358 | 202.8 |
[M+Na]+ | 415.24552 | 203.5 |
[M-H]- | 391.24902 | 203.9 |
[M+NH4]+ | 410.29012 | 213.5 |
[M+K]+ | 431.21946 | 201.8 |
[M+H-H2O]+ | 375.25356 | 194.0 |
[M+HCOO]- | 437.25450 | 220.1 |
[M+CH3COO]- | 451.27015 | 223.3 |
[M+Na-2H]- | 413.23097 | 198.6 |
[M]+ | 392.25575 | 210.8 |
[M]- | 392.25685 | 210.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.