CID 73416179

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

Structural Information

Molecular Formula
C31H58O6
SMILES
CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC)OC(=O)CCCCCCCCC
InChI
InChI=1S/C31H58O6/c1-4-7-10-13-15-18-21-24-30(33)36-27-28(26-35-29(32)23-20-17-12-9-6-3)37-31(34)25-22-19-16-14-11-8-5-2/h28H,4-27H2,1-3H3/t28-/m0/s1
InChIKey
KHOXIGZKRZJQTF-NDEPHWFRSA-N
Compound name
[(2S)-2-decanoyloxy-3-octanoyloxypropyl] decanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

526.42334 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.43062 244.9
[M+Na]+ 549.41256 245.6
[M+NH4]+ 544.45716 247.8
[M+K]+ 565.38650 245.0
[M-H]- 525.41606 233.8
[M+Na-2H]- 547.39801 245.8
[M]+ 526.42279 242.2
[M]- 526.42389 242.2
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.