CID 89710

Stearyl arachidate

Structural Information

Molecular Formula
C38H76O2
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
InChIKey
XPRSWAIUFMEQLF-UHFFFAOYSA-N
Compound name
octadecyl icosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

201
Patents

564.58453 Da
Monoisotopic Mass

18.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.59181 261.3
[M+Na]+ 587.57375 266.3
[M-H]- 563.57725 240.7
[M+NH4]+ 582.61835 259.5
[M+K]+ 603.54769 268.3
[M+H-H2O]+ 547.58179 260.5
[M+HCOO]- 609.58273 267.6
[M+CH3COO]- 623.59838 264.2
[M+Na-2H]- 585.55920 243.9
[M]+ 564.58398 261.8
[M]- 564.58508 261.8
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

patents stripe