CID 56936460

1-dodecanoyl-2,3-ditridecanoyl-sn-glycerol

Structural Information

Molecular Formula
C41H78O6
SMILES
CCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C41H78O6/c1-4-7-10-13-16-19-22-25-28-31-34-40(43)46-37-38(36-45-39(42)33-30-27-24-21-18-15-12-9-6-3)47-41(44)35-32-29-26-23-20-17-14-11-8-5-2/h38H,4-37H2,1-3H3/t38-/m1/s1
InChIKey
VXCJXWNYKQMQNK-KXQOOQHDSA-N
Compound name
[(2R)-3-dodecanoyloxy-2-tridecanoyloxypropyl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

666.57983 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.58711 279.0
[M+Na]+ 689.56905 278.8
[M+NH4]+ 684.61365 281.6
[M+K]+ 705.54299 280.0
[M-H]- 665.57255 264.6
[M+Na-2H]- 687.55450 276.7
[M]+ 666.57928 275.6
[M]- 666.58038 275.6
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.