CID 131803078

Tg(12:0/10:0/15:0)

Structural Information

Molecular Formula
C40H76O6
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC
InChI
InChI=1S/C40H76O6/c1-4-7-10-13-16-18-19-20-22-25-27-30-33-39(42)45-36-37(46-40(43)34-31-28-23-15-12-9-6-3)35-44-38(41)32-29-26-24-21-17-14-11-8-5-2/h37H,4-36H2,1-3H3/t37-/m0/s1
InChIKey
BNTVYQMCGMPHAN-QNGWXLTQSA-N
Compound name
[(2S)-2-decanoyloxy-3-dodecanoyloxypropyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

652.5642 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.57148 271.5
[M+Na]+ 675.55342 276.9
[M-H]- 651.55692 259.2
[M+NH4]+ 670.59802 278.3
[M+K]+ 691.52736 280.0
[M+H-H2O]+ 635.56146 273.2
[M+HCOO]- 697.56240 271.9
[M+CH3COO]- 711.57805 275.4
[M+Na-2H]- 673.53887 254.8
[M]+ 652.56365 272.5
[M]- 652.56475 272.5
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.