CID 17720

Stearyl stearate

Structural Information

Molecular Formula
C36H72O2
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKey
NKBWPOSQERPBFI-UHFFFAOYSA-N
Compound name
octadecyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

37368
Patents

536.5532 Da
Monoisotopic Mass

17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.56048 253.3
[M+Na]+ 559.54242 254.0
[M+NH4]+ 554.58702 251.5
[M+K]+ 575.51636 253.0
[M-H]- 535.54592 233.6
[M+Na-2H]- 557.52787 251.0
[M]+ 536.55265 247.8
[M]- 536.55375 247.8
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