CID 139594714

Ns00095370

Structural Information

Molecular Formula
C24H48O5
SMILES
CCCCCCCCCCCCCCCCCCOCCC(=O)OCC(CO)O
InChI
InChI=1S/C24H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-20-18-24(27)29-22-23(26)21-25/h23,25-26H,2-22H2,1H3
InChIKey
DGYHTYLIWAVBBZ-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 3-octadecoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.3502 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.357476 214.4
[M+Na]+ 439.339418 212.8
[M-H]- 415.342924 203.8
[M+NH4]+ 434.384023 214.3
[M+K]+ 455.313358 209.2
[M+H-H2O]+ 399.347460 206.3
[M+HCOO]- 461.348401 222.5
[M+CH3COO]- 475.364051 225.3
[M+Na-2H]- 437.324866 208.7
[M]+ 416.34965142 215.3
[M]- 416.35074858 215.3
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

No patent data available for this compound.