CID 175601

Glyceryl tri(3-oxodecanoate)

Structural Information

Molecular Formula
C33H56O9
SMILES
CCCCCCCC(=O)CC(=O)OCC(COC(=O)CC(=O)CCCCCCC)OC(=O)CC(=O)CCCCCCC
InChI
InChI=1S/C33H56O9/c1-4-7-10-13-16-19-27(34)22-31(37)40-25-30(42-33(39)24-29(36)21-18-15-12-9-6-3)26-41-32(38)23-28(35)20-17-14-11-8-5-2/h30H,4-26H2,1-3H3
InChIKey
JMGZJVGBEHSEEW-UHFFFAOYSA-N
Compound name
2,3-bis(3-oxodecanoyloxy)propyl 3-oxodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.39246 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.39974 249.7
[M+Na]+ 619.38168 257.9
[M-H]- 595.38518 248.5
[M+NH4]+ 614.42628 264.7
[M+K]+ 635.35562 258.4
[M+H-H2O]+ 579.38972 254.5
[M+HCOO]- 641.39066 247.8
[M+CH3COO]- 655.40631 261.7
[M+Na-2H]- 617.36713 238.2
[M]+ 596.39191 252.0
[M]- 596.39301 252.0
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

No patent data available for this compound.