CID 156587248

Chebi:177078

Structural Information

Molecular Formula
C29H54O6
SMILES
CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC
InChI
InChI=1S/C29H54O6/c1-4-7-10-11-12-13-14-15-16-17-20-22-28(31)34-25-26(35-29(32)23-19-9-6-3)24-33-27(30)21-18-8-5-2/h26H,4-25H2,1-3H3
InChIKey
VERCGCZENFQOAX-UHFFFAOYSA-N
Compound name
2,3-di(hexanoyloxy)propyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.39203 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.39931 233.2
[M+Na]+ 521.38125 240.5
[M-H]- 497.38475 225.1
[M+NH4]+ 516.42585 240.3
[M+K]+ 537.35519 239.1
[M+H-H2O]+ 481.38929 236.1
[M+HCOO]- 543.39023 238.0
[M+CH3COO]- 557.40588 245.1
[M+Na-2H]- 519.36670 221.3
[M]+ 498.39148 234.5
[M]- 498.39258 234.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.