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]+ 569.513926 254.2
[M+Na]+ 591.495868 259.9
[M-H]- 567.499374 240.8
[M+NH4]+ 586.540473 258.5
[M+K]+ 607.469808 261.0
[M+H-H2O]+ 551.503910 255.6
[M+HCOO]- 613.504851 258.1
[M+CH3COO]- 627.520501 260.7
[M+Na-2H]- 589.481316 238.9
[M]+ 568.50610142 255.1
[M]- 568.50719858 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.