CID 7787

Triethylene glycol dicaprate

Structural Information

Molecular Formula
C26H50O6
SMILES
CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCC
InChI
InChI=1S/C26H50O6/c1-3-5-7-9-11-13-15-17-25(27)31-23-21-29-19-20-30-22-24-32-26(28)18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
KCNIYOMOUYURBQ-UHFFFAOYSA-N
Compound name
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

208
Patents

458.36075 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.368026 225.1
[M+Na]+ 481.349968 231.3
[M-H]- 457.353474 214.2
[M+NH4]+ 476.394573 228.7
[M+K]+ 497.323908 228.1
[M+H-H2O]+ 441.358010 227.2
[M+HCOO]- 503.358951 234.9
[M+CH3COO]- 517.374601 236.5
[M+Na-2H]- 479.335416 212.8
[M]+ 458.36020142 226.5
[M]- 458.36129858 226.5
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

patents stripe