CID 3085643

71850-74-3

Structural Information

Molecular Formula
C20H36O6
SMILES
CCCCC(=O)OCC(C)(C)COC(=O)C(C)(C)COC(=O)CCCC
InChI
InChI=1S/C20H36O6/c1-7-9-11-16(21)24-13-19(3,4)14-26-18(23)20(5,6)15-25-17(22)12-10-8-2/h7-15H2,1-6H3
InChIKey
WIAWMBFCOXRNOS-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3-pentanoyloxypropyl) 2,2-dimethyl-3-pentanoyloxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2512 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.25848 190.8
[M+Na]+ 395.24042 196.8
[M+NH4]+ 390.28502 198.7
[M+K]+ 411.21436 192.3
[M-H]- 371.24392 187.4
[M+Na-2H]- 393.22587 188.4
[M]+ 372.25065 192.7
[M]- 372.25175 192.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.