CID 131805218

Tg(i-13:0/i-13:0/i-17:0)

Structural Information

Molecular Formula
C46H88O6
SMILES
CC(C)CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C
InChI
InChI=1S/C46H88O6/c1-40(2)32-26-20-14-10-8-7-9-11-17-23-29-35-44(47)50-38-43(52-46(49)37-31-25-19-13-16-22-28-34-42(5)6)39-51-45(48)36-30-24-18-12-15-21-27-33-41(3)4/h40-43H,7-39H2,1-6H3/t43-/m1/s1
InChIKey
MQFSQFFRIZHRNK-VZUYHUTRSA-N
Compound name
[(2R)-2,3-bis(11-methyldodecanoyloxy)propyl] 15-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

736.6581 Da
Monoisotopic Mass

18.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 737.66538 297.4
[M+Na]+ 759.64732 296.7
[M+NH4]+ 754.69192 302.3
[M+K]+ 775.62126 299.1
[M-H]- 735.65082 285.1
[M+Na-2H]- 757.63277 294.4
[M]+ 736.65755 294.9
[M]- 736.65865 294.9
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.