CID 71587663

Tetradecyloctadecyl myristate

Structural Information

Molecular Formula
C46H92O2
SMILES
CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C46H92O2/c1-4-7-10-13-16-19-22-24-25-28-30-33-36-39-42-45(41-38-35-32-29-27-23-20-17-14-11-8-5-2)44-48-46(47)43-40-37-34-31-26-21-18-15-12-9-6-3/h45H,4-44H2,1-3H3
InChIKey
XGUVJFWTIYUPMM-UHFFFAOYSA-N
Compound name
2-tetradecyloctadecyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

676.7097 Da
Monoisotopic Mass

22.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.71698 287.3
[M+Na]+ 699.69892 291.5
[M-H]- 675.70242 265.4
[M+NH4]+ 694.74352 287.1
[M+K]+ 715.67286 297.3
[M+H-H2O]+ 659.70696 286.3
[M+HCOO]- 721.70790 288.4
[M+CH3COO]- 735.72355 286.6
[M+Na-2H]- 697.68437 267.3
[M]+ 676.70915 287.6
[M]- 676.71025 287.6
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.