CID 121596033

Dtxsid501366810

Structural Information

Molecular Formula
C21H42O5
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COCCO)O
InChI
InChI=1S/C21H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)26-19-20(23)18-25-17-16-22/h20,22-23H,2-19H2,1H3
InChIKey
UOWOVUKVRABXJS-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-hydroxyethoxy)propyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.30322 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.310496 201.4
[M+Na]+ 397.292438 201.1
[M-H]- 373.295944 196.0
[M+NH4]+ 392.337043 203.3
[M+K]+ 413.266378 198.1
[M+H-H2O]+ 357.300480 193.8
[M+HCOO]- 419.301421 212.6
[M+CH3COO]- 433.317071 216.6
[M+Na-2H]- 395.277886 197.2
[M]+ 374.30267142 209.7
[M]- 374.30376858 209.7
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.