CID 86289324

1-hexadecyl-2-acetyl-3-decanoyl-sn-glycerol

Structural Information

Molecular Formula
C31H60O5
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCC)OC(=O)C
InChI
InChI=1S/C31H60O5/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-24-26-34-27-30(36-29(3)32)28-35-31(33)25-23-21-19-11-9-7-5-2/h30H,4-28H2,1-3H3/t30-/m1/s1
InChIKey
FMCXDQKXLGNLBF-SSEXGKCCSA-N
Compound name
[(2R)-2-acetyloxy-3-hexadecoxypropyl] decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.4441 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.45138 240.1
[M+Na]+ 535.43332 246.5
[M-H]- 511.43682 228.2
[M+NH4]+ 530.47792 244.4
[M+K]+ 551.40726 245.9
[M+H-H2O]+ 495.44136 242.0
[M+HCOO]- 557.44230 245.5
[M+CH3COO]- 571.45795 249.6
[M+Na-2H]- 533.41877 226.6
[M]+ 512.44355 241.2
[M]- 512.44465 241.2
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.