CID 3014699

Schembl285507

Structural Information

Molecular Formula
C24H48O6
SMILES
C(CCCCCCCCCC(=O)OCC(CO)O)CCCCCCCCC(CO)O
InChI
InChI=1S/C24H48O6/c25-19-22(27)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-24(29)30-21-23(28)20-26/h22-23,25-28H,1-21H2
InChIKey
VOLDGOBJEHURBY-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 20,21-dihydroxyhenicosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
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 217.0
[M+Na]+ 455.334318 219.8
[M-H]- 431.337824 206.4
[M+NH4]+ 450.378923 213.2
[M+K]+ 471.308258 210.1
[M+H-H2O]+ 415.342360 209.1
[M+HCOO]- 477.343301 217.9
[M+CH3COO]- 491.358951 223.4
[M+Na-2H]- 453.319766 209.2
[M]+ 432.34455142 213.8
[M]- 432.34564858 213.8
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