CID 9954527

3-(2,3-dihydroxypropoxy)-2-hydroxypropyl stearate

Structural Information

Molecular Formula
C24H48O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COCC(CO)O)O
InChI
InChI=1S/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)30-21-23(27)20-29-19-22(26)18-25/h22-23,25-27H,2-21H2,1H3
InChIKey
DUUKZBGYNMHUHO-UHFFFAOYSA-N
Compound name
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1941
Patents

432.3451 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.35238 218.0
[M+Na]+ 455.33432 221.3
[M-H]- 431.33782 207.3
[M+NH4]+ 450.37892 216.0
[M+K]+ 471.30826 211.5
[M+H-H2O]+ 415.34236 209.1
[M+HCOO]- 477.34330 220.1
[M+CH3COO]- 491.35895 225.7
[M+Na-2H]- 453.31977 209.9
[M]+ 432.34455 215.7
[M]- 432.34565 215.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe