CID 109360

68425-97-8

Structural Information

Molecular Formula
C27H52O4
SMILES
CCCCCCCCCCOC(=O)C(C)CC(C)(C)CC(=O)OCCCCCCCC
InChI
InChI=1S/C27H52O4/c1-6-8-10-12-14-15-17-19-21-31-26(29)24(3)22-27(4,5)23-25(28)30-20-18-16-13-11-9-7-2/h24H,6-23H2,1-5H3
InChIKey
UJWASZQDZMOHER-UHFFFAOYSA-N
Compound name
1-O-decyl 6-O-octyl 2,4,4-trimethylhexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.38657 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.39385 218.6
[M+Na]+ 463.37579 223.2
[M+NH4]+ 458.42039 223.8
[M+K]+ 479.34973 220.2
[M-H]- 439.37929 209.8
[M+Na-2H]- 461.36124 215.3
[M]+ 440.38602 218.5
[M]- 440.38712 218.5
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.