CID 131799587

Dg(20:0/0:0/13:0)

Structural Information

Molecular Formula
C36H70O5
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC)O
InChI
InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m0/s1
InChIKey
MZENSGMIXWYPRC-UMSFTDKQSA-N
Compound name
[(2S)-2-hydroxy-3-tridecanoyloxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.52234 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.52962 259.6
[M+Na]+ 605.51156 259.9
[M+NH4]+ 600.55616 260.3
[M+K]+ 621.48550 259.7
[M-H]- 581.51506 244.7
[M+Na-2H]- 603.49701 258.2
[M]+ 582.52179 255.6
[M]- 582.52289 255.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.