CID 71356819

Tetradecyloctadecyl behenate

Structural Information

Molecular Formula
C54H108O2
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C54H108O2/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-33-36-39-42-45-48-51-54(55)56-52-53(49-46-43-40-37-34-24-21-18-15-12-9-6-3)50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3
InChIKey
OKRKSGJHRCDXRE-UHFFFAOYSA-N
Compound name
2-tetradecyloctadecyl docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

788.83496 Da
Monoisotopic Mass

26.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 789.84224 312.5
[M+Na]+ 811.82418 315.4
[M-H]- 787.82768 287.7
[M+NH4]+ 806.86878 312.3
[M+K]+ 827.79812 324.5
[M+H-H2O]+ 771.83222 310.7
[M+HCOO]- 833.83316 310.8
[M+CH3COO]- 847.84881 307.4
[M+Na-2H]- 809.80963 289.5
[M]+ 788.83441 312.9
[M]- 788.83551 312.9
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

patents stripe