CID 131799427

Dg(20:0/0:0/12:0)

Structural Information

Molecular Formula
C35H68O5
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)O
InChI
InChI=1S/C35H68O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
InChIKey
WRAZDLLGTRMPBL-XIFFEERXSA-N
Compound name
[(2S)-3-dodecanoyloxy-2-hydroxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.50665 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.51393 256.2
[M+Na]+ 591.49587 256.7
[M+NH4]+ 586.54047 257.0
[M+K]+ 607.46981 256.2
[M-H]- 567.49937 241.7
[M+Na-2H]- 589.48132 255.2
[M]+ 568.50610 252.3
[M]- 568.50720 252.3
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.