CID 11278886
Neosolue-depd
Structural Information
- Molecular Formula
- C19H36O4
- SMILES
- CCC(CC(CC)COC(=O)C(C)(C)C)COC(=O)C(C)(C)C
- InChI
- InChI=1S/C19H36O4/c1-9-14(12-22-16(20)18(3,4)5)11-15(10-2)13-23-17(21)19(6,7)8/h14-15H,9-13H2,1-8H3
- InChIKey
- NEOSCXSMCDEQPS-UHFFFAOYSA-N
- Compound name
- [4-(2,2-dimethylpropanoyloxymethyl)-2-ethylhexyl] 2,2-dimethylpropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 329.26863 | 183.8 |
[M+Na]+ | 351.25057 | 186.6 |
[M-H]- | 327.25407 | 183.0 |
[M+NH4]+ | 346.29517 | 194.4 |
[M+K]+ | 367.22451 | 186.9 |
[M+H-H2O]+ | 311.25861 | 178.9 |
[M+HCOO]- | 373.25955 | 195.9 |
[M+CH3COO]- | 387.27520 | 213.6 |
[M+Na-2H]- | 349.23602 | 181.7 |
[M]+ | 328.26080 | 190.8 |
[M]- | 328.26190 | 190.8 |
Literature stripe
No literature data available for this compound.