CID 537294

2-eicosanoylglycerol

Structural Information

Molecular Formula
C23H46O4
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
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)27-22(20-24)21-25/h22,24-25H,2-21H2,1H3
InChIKey
KECCPKLXQUOWMI-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl icosanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

42
Patents

386.3396 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.34688 207.9
[M+Na]+ 409.32882 206.9
[M-H]- 385.33232 202.2
[M+NH4]+ 404.37342 207.5
[M+K]+ 425.30276 202.9
[M+H-H2O]+ 369.33686 200.3
[M+HCOO]- 431.33780 216.7
[M+CH3COO]- 445.35345 220.5
[M+Na-2H]- 407.31427 202.5
[M]+ 386.33905 215.5
[M]- 386.34015 215.5
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

patents stripe