CID 53478598

1,2-dinervonoyl-rac-glycerol

Structural Information

Molecular Formula
C51H96O5
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C51H96O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-48-49(47-52)56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,49,52H,3-16,21-48H2,1-2H3/b19-17-,20-18-/t49-/m0/s1
InChIKey
SOWAPPIVBQCDGN-BTOFNRAGSA-N
Compound name
[(2S)-3-hydroxy-2-[(Z)-tetracos-15-enoyl]oxypropyl] (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

788.72577 Da
Monoisotopic Mass

20.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 789.73305 303.9
[M+Na]+ 811.71499 303.9
[M+NH4]+ 806.75959 304.1
[M+K]+ 827.68893 306.3
[M-H]- 787.71849 285.7
[M+Na-2H]- 809.70044 298.7
[M]+ 788.72522 299.5
[M]- 788.72632 299.5
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.