CID 131772718

Tg(21:0/8:0/10:0)

Structural Information

Molecular Formula
C42H80O6
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC)OC(=O)CCCCCCC
InChI
InChI=1S/C42H80O6/c1-4-7-10-13-15-16-17-18-19-20-21-22-23-24-25-27-30-32-35-41(44)47-38-39(48-42(45)36-33-28-12-9-6-3)37-46-40(43)34-31-29-26-14-11-8-5-2/h39H,4-38H2,1-3H3/t39-/m1/s1
InChIKey
ACEIHLSASFFWHA-LDLOPFEMSA-N
Compound name
[(2R)-3-decanoyloxy-2-octanoyloxypropyl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

680.5955 Da
Monoisotopic Mass

17.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.60278 282.3
[M+Na]+ 703.58472 282.0
[M+NH4]+ 698.62932 284.8
[M+K]+ 719.55866 283.4
[M-H]- 679.58822 267.6
[M+Na-2H]- 701.57017 279.7
[M]+ 680.59495 278.9
[M]- 680.59605 278.9
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.