CID 131779441

Tg(8:0/8:0/13:0)

Structural Information

Molecular Formula
C32H60O6
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChI
InChI=1S/C32H60O6/c1-4-7-10-13-14-15-16-17-20-22-25-31(34)37-28-29(38-32(35)26-23-19-12-9-6-3)27-36-30(33)24-21-18-11-8-5-2/h29H,4-28H2,1-3H3/t29-/m0/s1
InChIKey
WTYSFSPLNGZQKE-LJAQVGFWSA-N
Compound name
[(2S)-2,3-di(octanoyloxy)propyl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

540.43896 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.44624 243.9
[M+Na]+ 563.42818 250.7
[M-H]- 539.43168 234.6
[M+NH4]+ 558.47278 250.9
[M+K]+ 579.40212 250.5
[M+H-H2O]+ 523.43622 246.5
[M+HCOO]- 585.43716 247.4
[M+CH3COO]- 599.45281 253.5
[M+Na-2H]- 561.41363 230.7
[M]+ 540.43841 245.0
[M]- 540.43951 245.0
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.