CID 86289326

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

Structural Information

Molecular Formula
C33H64O5
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCC)OC(=O)C
InChI
InChI=1S/C33H64O5/c1-4-6-8-10-12-14-15-16-17-18-20-22-24-26-28-36-29-32(38-31(3)34)30-37-33(35)27-25-23-21-19-13-11-9-7-5-2/h32H,4-30H2,1-3H3/t32-/m1/s1
InChIKey
AFPSUMOSKZMZGD-JGCGQSQUSA-N
Compound name
[(2R)-2-acetyloxy-3-hexadecoxypropyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.4754 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.482676 247.2
[M+Na]+ 563.464618 253.2
[M-H]- 539.468124 234.5
[M+NH4]+ 558.509223 251.5
[M+K]+ 579.438558 253.5
[M+H-H2O]+ 523.472660 248.9
[M+HCOO]- 585.473601 251.8
[M+CH3COO]- 599.489251 255.2
[M+Na-2H]- 561.450066 232.8
[M]+ 540.47485142 248.2
[M]- 540.47594858 248.2
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.