CID 53480981

1-eicosanoyl-rac-glycerol

Structural Information

Molecular Formula
C23H46O4
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h22,24-25H,2-21H2,1H3/t22-/m0/s1
InChIKey
UMEKPPOFCOUEDT-QFIPXVFZSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

731
Patents

386.3396 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.34688 204.8
[M+Na]+ 409.32882 209.2
[M+NH4]+ 404.37342 212.6
[M+K]+ 425.30276 202.5
[M-H]- 385.33232 200.8
[M+Na-2H]- 407.31427 201.6
[M]+ 386.33905 203.7
[M]- 386.34015 203.7
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