CID 86289323

1-palmityl-2-acetyl-3-myristoyl-sn-glycerol

Structural Information

Molecular Formula
C35H68O5
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)C
InChI
InChI=1S/C35H68O5/c1-4-6-8-10-12-14-16-17-18-20-22-24-26-28-30-38-31-34(40-33(3)36)32-39-35(37)29-27-25-23-21-19-15-13-11-9-7-5-2/h34H,4-32H2,1-3H3/t34-/m1/s1
InChIKey
NJPLVGBNOUFNTO-UUWRZZSWSA-N
Compound name
[(2R)-2-acetyloxy-3-hexadecoxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.50665 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.51393 254.2
[M+Na]+ 591.49587 259.9
[M-H]- 567.49937 240.8
[M+NH4]+ 586.54047 258.5
[M+K]+ 607.46981 261.0
[M+H-H2O]+ 551.50391 255.6
[M+HCOO]- 613.50485 258.1
[M+CH3COO]- 627.52050 260.7
[M+Na-2H]- 589.48132 238.9
[M]+ 568.50610 255.1
[M]- 568.50720 255.1
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

No patent data available for this compound.