CID 102188795

1,2-dicaproyl-3-oleoylglycerol

Structural Information

Molecular Formula
C33H60O6
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC
InChI
InChI=1S/C33H60O6/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-24-26-32(35)38-29-30(39-33(36)27-23-9-6-3)28-37-31(34)25-22-8-5-2/h15-16,30H,4-14,17-29H2,1-3H3/b16-15-
InChIKey
GECPZXRQQXVFDC-NXVVXOECSA-N
Compound name
2,3-di(hexanoyloxy)propyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.43896 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.44624 245.3
[M+Na]+ 575.42818 252.6
[M-H]- 551.43168 236.5
[M+NH4]+ 570.47278 252.7
[M+K]+ 591.40212 252.4
[M+H-H2O]+ 535.43622 247.9
[M+HCOO]- 597.43716 249.4
[M+CH3COO]- 611.45281 255.0
[M+Na-2H]- 573.41363 232.2
[M]+ 552.43841 246.2
[M]- 552.43951 246.2
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

No patent data available for this compound.