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]+ 513.451376 240.1
[M+Na]+ 535.433318 246.5
[M-H]- 511.436824 228.2
[M+NH4]+ 530.477923 244.4
[M+K]+ 551.407258 245.9
[M+H-H2O]+ 495.441360 242.0
[M+HCOO]- 557.442301 245.5
[M+CH3COO]- 571.457951 249.6
[M+Na-2H]- 533.418766 226.6
[M]+ 512.44355142 241.2
[M]- 512.44464858 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.