CID 131779508

Tg(8:0/10:0/i-12:0)

Structural Information

Molecular Formula
C33H62O6
SMILES
CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC)COC(=O)CCCCCCCCC(C)C
InChI
InChI=1S/C33H62O6/c1-5-7-9-11-12-18-22-26-33(36)39-30(27-37-31(34)24-20-15-10-8-6-2)28-38-32(35)25-21-17-14-13-16-19-23-29(3)4/h29-30H,5-28H2,1-4H3/t30-/m0/s1
InChIKey
IQHUGTUHHCXEAH-PMERELPUSA-N
Compound name
[(2S)-2-decanoyloxy-3-octanoyloxypropyl] 10-methylundecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

554.45465 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.46193 252.3
[M+Na]+ 577.44387 252.8
[M+NH4]+ 572.48847 255.9
[M+K]+ 593.41781 252.6
[M-H]- 553.44737 241.8
[M+Na-2H]- 575.42932 252.9
[M]+ 554.45410 249.9
[M]- 554.45520 249.9
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.