CID 68149

1,3-dipalmitin

Structural Information

Molecular Formula
C35H68O5
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3
InChIKey
GFAZGHREJPXDMH-UHFFFAOYSA-N
Compound name
(3-hexadecanoyloxy-2-hydroxypropyl) hexadecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

3906
Patents

568.50665 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.51393 256.2
[M+Na]+ 591.49587 256.7
[M+NH4]+ 586.54047 257.0
[M+K]+ 607.46981 256.2
[M-H]- 567.49937 241.7
[M+Na-2H]- 589.48132 255.2
[M]+ 568.50610 252.3
[M]- 568.50720 252.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe