CID 131779642

Mg(a-21:0/0:0/0:0)[rac]

Structural Information

Molecular Formula
C24H48O4
SMILES
CCC(C)CCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O
InChI
InChI=1S/C24H48O4/c1-3-22(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-24(27)28-21-23(26)20-25/h22-23,25-26H,3-21H2,1-2H3/t22?,23-/m1/s1
InChIKey
YTEYDCRHTOEYAS-OZAIVSQSSA-N
Compound name
[(2R)-2,3-dihydroxypropyl] 18-methylicosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.35526 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.36254 209.0
[M+Na]+ 423.34448 212.9
[M+NH4]+ 418.38908 217.3
[M+K]+ 439.31842 215.8
[M-H]- 399.34798 204.7
[M+Na-2H]- 421.32993 205.2
[M]+ 400.35471 207.7
[M]- 400.35581 207.7
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

No patent data available for this compound.