CID 131779657

Mg(i-19:0/0:0/0:0)

Structural Information

Molecular Formula
C22H44O4
SMILES
CC(C)CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O
InChI
InChI=1S/C22H44O4/c1-20(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22(25)26-19-21(24)18-23/h20-21,23-24H,3-19H2,1-2H3/t21-/m1/s1
InChIKey
QLPOUVVOBQMRGC-OAQYLSRUSA-N
Compound name
[(2R)-2,3-dihydroxypropyl] 17-methyloctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.32397 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.33125 200.4
[M+Na]+ 395.31319 204.7
[M+NH4]+ 390.35779 210.4
[M+K]+ 411.28713 199.1
[M-H]- 371.31669 196.3
[M+Na-2H]- 393.29864 197.2
[M]+ 372.32342 199.3
[M]- 372.32452 199.3
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.