CID 129853173

1-oleoyl-3-octoyl glycerol

Structural Information

Molecular Formula
C29H54O5
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)O
InChI
InChI=1S/C29H54O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-29(32)34-26-27(30)25-33-28(31)23-21-19-8-6-4-2/h13-14,27,30H,3-12,15-26H2,1-2H3/b14-13-
InChIKey
YWTLJLUETWTDAL-YPKPFQOOSA-N
Compound name
(2-hydroxy-3-octanoyloxypropyl) (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.39713 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.40441 229.8
[M+Na]+ 505.38635 236.1
[M-H]- 481.38985 219.1
[M+NH4]+ 500.43095 232.2
[M+K]+ 521.36029 234.3
[M+H-H2O]+ 465.39439 230.8
[M+HCOO]- 527.39533 235.2
[M+CH3COO]- 541.41098 240.2
[M+Na-2H]- 503.37180 216.9
[M]+ 482.39658 229.5
[M]- 482.39768 229.5
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.