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 213.1
[M+Na]+ 423.34448 211.5
[M-H]- 399.34798 207.3
[M+NH4]+ 418.38908 212.1
[M+K]+ 439.31842 207.7
[M+H-H2O]+ 383.35252 205.4
[M+HCOO]- 445.35346 217.1
[M+CH3COO]- 459.36911 224.3
[M+Na-2H]- 421.32993 205.9
[M]+ 400.35471 220.4
[M]- 400.35581 220.4
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.