CID 131757299

Tracylglycerol(22:0/18:0/18:0)

Structural Information

Molecular Formula
C61H120O5
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h59H,4-58H2,1-3H3/t59-/m1/s1
InChIKey
GNIKQFKHBFIRSO-OBEXFZABSA-N
Compound name
[(2R)-2-octadecanoyloxy-3-octadecoxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

932.9136 Da
Monoisotopic Mass

27.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 933.92088 339.4
[M+Na]+ 955.90282 337.4
[M+NH4]+ 950.94742 340.1
[M+K]+ 971.87676 342.2
[M-H]- 931.90632 316.3
[M+Na-2H]- 953.88827 330.3
[M]+ 932.91305 333.9
[M]- 932.91415 333.9
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.