CID 131805653

Tg(i-13:0/i-15:0/i-17:0)

Structural Information

Molecular Formula
C48H92O6
SMILES
CC(C)CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C48H92O6/c1-42(2)34-28-22-16-11-8-7-9-13-19-25-31-37-46(49)52-40-45(41-53-47(50)38-32-26-21-15-18-24-30-36-44(5)6)54-48(51)39-33-27-20-14-10-12-17-23-29-35-43(3)4/h42-45H,7-41H2,1-6H3/t45-/m1/s1
InChIKey
BHAIUMCTSJNQNV-WBVITSLISA-N
Compound name
[(2R)-3-(11-methyldodecanoyloxy)-2-(13-methyltetradecanoyloxy)propyl] 15-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

764.6894 Da
Monoisotopic Mass

19.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.69668 304.0
[M+Na]+ 787.67862 303.1
[M+NH4]+ 782.72322 308.8
[M+K]+ 803.65256 305.8
[M-H]- 763.68212 291.0
[M+Na-2H]- 785.66407 300.3
[M]+ 764.68885 301.3
[M]- 764.68995 301.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.