CID 131778174

Tg(10:0/17:0/12:0)

Structural Information

Molecular Formula
C42H80O6
SMILES
CCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCC
InChI
InChI=1S/C42H80O6/c1-4-7-10-13-16-18-19-20-21-22-24-27-30-33-36-42(45)48-39(37-46-40(43)34-31-28-25-15-12-9-6-3)38-47-41(44)35-32-29-26-23-17-14-11-8-5-2/h39H,4-38H2,1-3H3/t39-/m0/s1
InChIKey
TYESGYJYLAMSIN-KDXMTYKHSA-N
Compound name
[(2S)-1-decanoyloxy-3-dodecanoyloxypropan-2-yl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
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]+ 681.602776 278.1
[M+Na]+ 703.584718 283.2
[M-H]- 679.588224 265.1
[M+NH4]+ 698.629323 285.0
[M+K]+ 719.558658 287.2
[M+H-H2O]+ 663.592760 279.6
[M+HCOO]- 725.593701 277.8
[M+CH3COO]- 739.609351 280.7
[M+Na-2H]- 701.570166 260.7
[M]+ 680.59495142 279.2
[M]- 680.59604858 279.2
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.