CID 19026760

Glyceryl 2-caprate-1-caprylate

Structural Information

Molecular Formula
C21H40O5
SMILES
CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC
InChI
InChI=1S/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-19(17-22)18-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3
InChIKey
YOYOQXRPUDEPAK-UHFFFAOYSA-N
Compound name
(1-hydroxy-3-octanoyloxypropan-2-yl) decanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

144
Patents

372.28757 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.29485 197.3
[M+Na]+ 395.27679 201.9
[M+NH4]+ 390.32139 209.1
[M+K]+ 411.25073 196.7
[M-H]- 371.28029 192.9
[M+Na-2H]- 393.26224 194.4
[M]+ 372.28702 196.1
[M]- 372.28812 196.1
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

patents stripe