CID 131800290

Dg(22:0/0:0/i-18:0)

Structural Information

Molecular Formula
C43H84O5
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC(C)C)O
InChI
InChI=1S/C43H84O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-36-42(45)47-38-41(44)39-48-43(46)37-34-31-28-25-22-19-18-20-23-26-29-32-35-40(2)3/h40-41,44H,4-39H2,1-3H3/t41-/m1/s1
InChIKey
BVYIGSLGTPSJSV-VQJSHJPSSA-N
Compound name
[(2R)-2-hydroxy-3-(16-methylheptadecanoyloxy)propyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

680.6319 Da
Monoisotopic Mass

18.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.63918 283.3
[M+Na]+ 703.62112 283.0
[M+NH4]+ 698.66572 284.7
[M+K]+ 719.59506 284.2
[M-H]- 679.62462 267.4
[M+Na-2H]- 701.60657 280.0
[M]+ 680.63135 279.3
[M]- 680.63245 279.3
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.