CID 139595194

Ns00095354

Structural Information

Molecular Formula
C24H48O6
SMILES
CCCCCCCCCCCCCCCCOCCOCCC(=O)OCC(CO)O
InChI
InChI=1S/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-28-19-20-29-18-16-24(27)30-22-23(26)21-25/h23,25-26H,2-22H2,1H3
InChIKey
HCFGRWCHTZTJBK-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 3-(2-hexadecoxyethoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.3451 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.352376 216.3
[M+Na]+ 455.334318 222.8
[M-H]- 431.337824 207.1
[M+NH4]+ 450.378923 217.6
[M+K]+ 471.308258 211.5
[M+H-H2O]+ 415.342360 207.9
[M+HCOO]- 477.343301 225.1
[M+CH3COO]- 491.358951 227.2
[M+Na-2H]- 453.319766 210.8
[M]+ 432.34455142 217.9
[M]- 432.34564858 217.9
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

No patent data available for this compound.