CID 131777807

Tg(i-24:0/18:0/i-16:0)

Structural Information

Molecular Formula
C61H118O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C
InChI
InChI=1S/C61H118O6/c1-6-7-8-9-10-11-12-13-18-23-26-33-38-43-48-53-61(64)67-58(55-66-60(63)52-47-42-37-32-28-27-30-35-40-45-50-57(4)5)54-65-59(62)51-46-41-36-31-25-22-20-17-15-14-16-19-21-24-29-34-39-44-49-56(2)3/h56-58H,6-55H2,1-5H3/t58-/m0/s1
InChIKey
HTSJZNXBMGVETE-XKJQNMSGSA-N
Compound name
[(2S)-3-(14-methylpentadecanoyloxy)-2-octadecanoyloxypropyl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

946.8928 Da
Monoisotopic Mass

26.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 947.90008 335.1
[M+Na]+ 969.88202 338.3
[M-H]- 945.88552 318.3
[M+NH4]+ 964.92662 345.2
[M+K]+ 985.85596 350.9
[M+H-H2O]+ 929.89006 336.1
[M+HCOO]- 991.89100 323.1
[M+CH3COO]- 1005.9067 329.2
[M+Na-2H]- 967.86747 312.1
[M]+ 946.89225 338.5
[M]- 946.89335 338.5
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

No patent data available for this compound.