CID 9882524

Diglyceryl caprylate

Structural Information

Molecular Formula
C14H28O6
SMILES
CCCCCCCC(=O)OCC(COCC(CO)O)O
InChI
InChI=1S/C14H28O6/c1-2-3-4-5-6-7-14(18)20-11-13(17)10-19-9-12(16)8-15/h12-13,15-17H,2-11H2,1H3
InChIKey
ZQEOGELFLULIGO-UHFFFAOYSA-N
Compound name
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] octanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

245
Patents

292.1886 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19588 173.3
[M+Na]+ 315.17782 175.2
[M-H]- 291.18132 167.8
[M+NH4]+ 310.22242 186.3
[M+K]+ 331.15176 174.2
[M+H-H2O]+ 275.18586 167.0
[M+HCOO]- 337.18680 188.5
[M+CH3COO]- 351.20245 196.6
[M+Na-2H]- 313.16327 170.9
[M]+ 292.18805 177.8
[M]- 292.18915 177.8
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