CID 131802882

Dg(a-25:0/a-15:0/0:0)

Structural Information

Molecular Formula
C43H84O5
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC(C)CC
InChI
InChI=1S/C43H84O5/c1-5-39(3)33-29-25-21-17-15-13-11-9-7-8-10-12-14-16-18-23-27-31-35-42(45)47-38-41(37-44)48-43(46)36-32-28-24-20-19-22-26-30-34-40(4)6-2/h39-41,44H,5-38H2,1-4H3/t39?,40?,41-/m0/s1
InChIKey
KGPURRSYMDXZOW-OILUCNTLSA-N
Compound name
[(2S)-3-hydroxy-2-(12-methyltetradecanoyloxy)propyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

680.6319 Da
Monoisotopic Mass

17.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.63918 284.0
[M+Na]+ 703.62112 283.7
[M+NH4]+ 698.66572 286.2
[M+K]+ 719.59506 284.9
[M-H]- 679.62462 269.3
[M+Na-2H]- 701.60657 281.0
[M]+ 680.63135 280.4
[M]- 680.63245 280.4
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.