CID 44152234

Dtxsid70864338

Structural Information

Molecular Formula
C24H48O6
SMILES
CCCCCCCCCCCCCCCCC(CC(CO)O)C(=O)OCC(CO)O
InChI
InChI=1S/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(17-22(27)18-25)24(29)30-20-23(28)19-26/h21-23,25-28H,2-20H2,1H3
InChIKey
LRZBIPQJHILPJI-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 2-(2,3-dihydroxypropyl)octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2089
Patents

432.3451 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.35238 216.9
[M+Na]+ 455.33432 219.6
[M-H]- 431.33782 207.2
[M+NH4]+ 450.37892 214.1
[M+K]+ 471.30826 217.4
[M+H-H2O]+ 415.34236 210.2
[M+HCOO]- 477.34330 214.9
[M+CH3COO]- 491.35895 224.3
[M+Na-2H]- 453.31977 208.7
[M]+ 432.34455 213.3
[M]- 432.34565 213.3
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