CID 51035391

1-palmitoyl-2-decanoyl-sn-glycerol

Structural Information

Molecular Formula
C29H56O5
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC
InChI
InChI=1S/C29H56O5/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-28(31)33-26-27(25-30)34-29(32)24-22-20-17-10-8-6-4-2/h27,30H,3-26H2,1-2H3/t27-/m0/s1
InChIKey
SQRGKONVJRTYTR-MHZLTWQESA-N
Compound name
[(2S)-2-decanoyloxy-3-hydroxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

484.41278 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.42006 235.8
[M+Na]+ 507.40200 236.8
[M+NH4]+ 502.44660 236.7
[M+K]+ 523.37594 235.2
[M-H]- 483.40550 223.3
[M+Na-2H]- 505.38745 236.7
[M]+ 484.41223 232.4
[M]- 484.41333 232.4
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.