CID 131799938

1-myristoyl-3-palmitoyl-sn-glycerol

Structural Information

Molecular Formula
C33H64O5
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)O
InChI
InChI=1S/C33H64O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3/t31-/m1/s1
InChIKey
MDJXLANKTSDJQI-WJOKGBTCSA-N
Compound name
[(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

540.4754 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.48268 246.3
[M+Na]+ 563.46462 251.3
[M-H]- 539.46812 233.2
[M+NH4]+ 558.50922 248.3
[M+K]+ 579.43856 251.6
[M+H-H2O]+ 523.47266 246.7
[M+HCOO]- 585.47360 249.2
[M+CH3COO]- 599.48925 252.8
[M+Na-2H]- 561.45007 231.1
[M]+ 540.47485 245.9
[M]- 540.47595 245.9
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.