CID 131779654

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.32397 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.33125 204.4
[M+Na]+ 395.31319 203.6
[M-H]- 371.31669 198.9
[M+NH4]+ 390.35779 204.8
[M+K]+ 411.28713 200.3
[M+H-H2O]+ 355.32123 197.0
[M+HCOO]- 417.32217 210.5
[M+CH3COO]- 431.33782 218.4
[M+Na-2H]- 393.29864 198.2
[M]+ 372.32342 210.9
[M]- 372.32452 210.9
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.