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
3
Annotation Hits

0
References

181
Patents

458.36075 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.36803 225.1
[M+Na]+ 481.34997 231.3
[M-H]- 457.35347 214.2
[M+NH4]+ 476.39457 228.7
[M+K]+ 497.32391 228.1
[M+H-H2O]+ 441.35801 227.2
[M+HCOO]- 503.35895 234.9
[M+CH3COO]- 517.37460 236.5
[M+Na-2H]- 479.33542 212.8
[M]+ 458.36020 226.5
[M]- 458.36130 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