CID 87202

3-hydroxy-2,2-bis(hydroxymethyl)propyl palmitate

Structural Information

Molecular Formula
C21H42O5
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO
InChI
InChI=1S/C21H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)26-19-21(16-22,17-23)18-24/h22-24H,2-19H2,1H3
InChIKey
VURIDHCIBBJUDI-UHFFFAOYSA-N
Compound name
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2411
Patents

374.30322 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.31050 198.2
[M+Na]+ 397.29244 202.0
[M+NH4]+ 392.33704 201.2
[M+K]+ 413.26638 197.2
[M-H]- 373.29594 192.8
[M+Na-2H]- 395.27789 194.8
[M]+ 374.30267 196.6
[M]- 374.30377 196.6
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