CID 89703

Arachidyl stearate

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

184
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