CID 131778893

Tg(10:0/8:0/14:0)

Structural Information

Molecular Formula
C35H66O6
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC)OC(=O)CCCCCCC
InChI
InChI=1S/C35H66O6/c1-4-7-10-13-15-16-17-18-20-23-25-28-34(37)40-31-32(41-35(38)29-26-21-12-9-6-3)30-39-33(36)27-24-22-19-14-11-8-5-2/h32H,4-31H2,1-3H3/t32-/m0/s1
InChIKey
COTTYSBYGFFYOP-YTTGMZPUSA-N
Compound name
[(2S)-3-decanoyloxy-2-octanoyloxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

582.48596 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.49324 254.4
[M+Na]+ 605.47518 260.7
[M-H]- 581.47868 244.0
[M+NH4]+ 600.51978 261.4
[M+K]+ 621.44912 261.8
[M+H-H2O]+ 565.48322 256.6
[M+HCOO]- 627.48416 256.8
[M+CH3COO]- 641.49981 261.8
[M+Na-2H]- 603.46063 239.9
[M]+ 582.48541 255.4
[M]- 582.48651 255.4
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.