CID 73416181

Tg(8:0/8:0/10:0)

Structural Information

Molecular Formula
C29H54O6
SMILES
CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChI
InChI=1S/C29H54O6/c1-4-7-10-13-14-17-19-22-28(31)34-25-26(35-29(32)23-20-16-12-9-6-3)24-33-27(30)21-18-15-11-8-5-2/h26H,4-25H2,1-3H3/t26-/m0/s1
InChIKey
OXBFEJBBKCRANO-SANMLTNESA-N
Compound name
[(2S)-2,3-di(octanoyloxy)propyl] decanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

498.39203 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.39931 233.2
[M+Na]+ 521.38125 240.5
[M-H]- 497.38475 225.1
[M+NH4]+ 516.42585 240.3
[M+K]+ 537.35519 239.1
[M+H-H2O]+ 481.38929 236.1
[M+HCOO]- 543.39023 238.0
[M+CH3COO]- 557.40588 245.1
[M+Na-2H]- 519.36670 221.3
[M]+ 498.39148 234.5
[M]- 498.39258 234.5
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

patents stripe