CID 131779637

Mg(i-22:0/0:0/0:0)

Structural Information

Molecular Formula
C25H50O4
SMILES
CC(C)CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O
InChI
InChI=1S/C25H50O4/c1-23(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-25(28)29-22-24(27)21-26/h23-24,26-27H,3-22H2,1-2H3/t24-/m1/s1
InChIKey
UXEYBXKDAGUPDR-XMMPIXPASA-N
Compound name
[(2R)-2,3-dihydroxypropyl] 20-methylhenicosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.3709 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.37818 213.2
[M+Na]+ 437.36012 216.9
[M+NH4]+ 432.40472 220.7
[M+K]+ 453.33406 219.3
[M-H]- 413.36362 208.6
[M+Na-2H]- 435.34557 209.2
[M]+ 414.37035 211.9
[M]- 414.37145 211.9
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.