CID 131771614

Tg(i-19:0/a-25:0/20:0)

Structural Information

Molecular Formula
C67H130O6
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C67H130O6/c1-6-8-9-10-11-12-13-14-15-18-22-27-32-37-42-47-52-57-65(68)71-60-64(61-72-66(69)58-53-48-43-38-33-29-24-25-30-35-40-45-50-55-62(3)4)73-67(70)59-54-49-44-39-34-28-23-20-17-16-19-21-26-31-36-41-46-51-56-63(5)7-2/h62-64H,6-61H2,1-5H3/t63?,64-/m1/s1
InChIKey
LMQUNIBKSOTVPG-HQDQCBGUSA-N
Compound name
[(2R)-1-icosanoyloxy-3-(17-methyloctadecanoyloxy)propan-2-yl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1030.9867 Da
Monoisotopic Mass

30.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1031.9940 361.0
[M+Na]+ 1053.9759 358.4
[M+NH4]+ 1049.0205 364.4
[M+K]+ 1069.9499 364.7
[M-H]- 1029.9794 340.8
[M+Na-2H]- 1051.9614 351.4
[M]+ 1030.9862 356.7
[M]- 1030.9872 356.7
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.