CID 71587131

Tetradecyloctadecyl stearate

Structural Information

Molecular Formula
C50H100O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C50H100O2/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50(51)52-48-49(45-42-39-36-33-30-24-21-18-15-12-9-6-3)46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3
InChIKey
RJUQTOLUCDMNKP-UHFFFAOYSA-N
Compound name
2-tetradecyloctadecyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

732.77234 Da
Monoisotopic Mass

24.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.77962 300.1
[M+Na]+ 755.76156 303.7
[M-H]- 731.76506 276.7
[M+NH4]+ 750.80616 299.9
[M+K]+ 771.73550 311.1
[M+H-H2O]+ 715.76960 298.7
[M+HCOO]- 777.77054 299.7
[M+CH3COO]- 791.78619 297.1
[M+Na-2H]- 753.74701 278.6
[M]+ 732.77179 300.4
[M]- 732.77289 300.4
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.