CID 86289325

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

Structural Information

Molecular Formula
C37H72O5
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)C
InChI
InChI=1S/C37H72O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-40-33-36(42-35(3)38)34-41-37(39)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36H,4-34H2,1-3H3/t36-/m1/s1
InChIKey
AHYRTHPOYQENFP-PSXMRANNSA-N
Compound name
[(2R)-2-acetyloxy-3-hexadecoxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.53796 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.545236 261.1
[M+Na]+ 619.527178 266.5
[M-H]- 595.530684 246.9
[M+NH4]+ 614.571783 265.3
[M+K]+ 635.501118 268.4
[M+H-H2O]+ 579.535220 262.3
[M+HCOO]- 641.536161 264.2
[M+CH3COO]- 655.551811 266.2
[M+Na-2H]- 617.512626 245.0
[M]+ 596.53741142 262.0
[M]- 596.53850858 262.0
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.