CID 121658

Mg(0:0/22:0/0:0)

Structural Information

Molecular Formula
C25H50O4
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h24,26-27H,2-23H2,1H3
InChIKey
DNULQWTYMFQUHB-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl docosanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4118
Patents

414.3709 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.37818 213.3
[M+Na]+ 437.36012 217.3
[M+NH4]+ 432.40472 219.4
[M+K]+ 453.33406 218.9
[M-H]- 413.36362 207.0
[M+Na-2H]- 435.34557 209.6
[M]+ 414.37035 212.1
[M]- 414.37145 212.1
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

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