CID 131778904

Tg(8:0/i-13:0/14:0)

Structural Information

Molecular Formula
C38H72O6
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC)OC(=O)CCCCCCCCCC(C)C
InChI
InChI=1S/C38H72O6/c1-5-7-9-11-12-13-14-15-18-22-26-30-37(40)43-33-35(32-42-36(39)29-25-20-10-8-6-2)44-38(41)31-27-23-19-16-17-21-24-28-34(3)4/h34-35H,5-33H2,1-4H3/t35-/m0/s1
InChIKey
VHDIELHFWOMAHT-DHUJRADRSA-N
Compound name
[(2S)-2-(11-methyldodecanoyloxy)-3-octanoyloxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

624.5329 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.54018 264.1
[M+Na]+ 647.52212 270.4
[M-H]- 623.52562 254.1
[M+NH4]+ 642.56672 272.7
[M+K]+ 663.49606 273.3
[M+H-H2O]+ 607.53016 266.6
[M+HCOO]- 669.53110 262.9
[M+CH3COO]- 683.54675 270.7
[M+Na-2H]- 645.50757 249.0
[M]+ 624.53235 265.3
[M]- 624.53345 265.3
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.