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
3
Annotation Hits

0
References

2293
Patents

432.3451 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.352376 216.9
[M+Na]+ 455.334318 219.6
[M-H]- 431.337824 207.2
[M+NH4]+ 450.378923 214.1
[M+K]+ 471.308258 217.4
[M+H-H2O]+ 415.342360 210.2
[M+HCOO]- 477.343301 214.9
[M+CH3COO]- 491.358951 224.3
[M+Na-2H]- 453.319766 208.7
[M]+ 432.34455142 213.3
[M]- 432.34564858 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