CID 131778274

Tg(8:0/8:0/i-12:0)

Structural Information

Molecular Formula
C31H58O6
SMILES
CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC
InChI
InChI=1S/C31H58O6/c1-5-7-9-13-18-22-29(32)35-25-28(37-31(34)24-20-14-10-8-6-2)26-36-30(33)23-19-16-12-11-15-17-21-27(3)4/h27-28H,5-26H2,1-4H3/t28-/m0/s1
InChIKey
XBIYZIDGFSGBTD-NDEPHWFRSA-N
Compound name
[(2S)-2,3-di(octanoyloxy)propyl] 10-methylundecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

526.42334 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.43062 245.3
[M+Na]+ 549.41256 246.0
[M+NH4]+ 544.45716 249.0
[M+K]+ 565.38650 245.5
[M-H]- 525.41606 235.5
[M+Na-2H]- 547.39801 246.6
[M]+ 526.42279 243.1
[M]- 526.42389 243.1
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.