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 217.5
[M+Na]+ 437.36012 215.4
[M-H]- 413.36362 211.4
[M+NH4]+ 432.40472 215.7
[M+K]+ 453.33406 211.4
[M+H-H2O]+ 397.36816 209.6
[M+HCOO]- 459.36910 220.3
[M+CH3COO]- 473.38475 227.1
[M+Na-2H]- 435.34557 209.8
[M]+ 414.37035 225.1
[M]- 414.37145 225.1
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

No patent data available for this compound.