CID 69968

Octadecyl acetate

Structural Information

Molecular Formula
C20H40O2
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C
InChI
InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3
InChIKey
OIZXRZCQJDXPFO-UHFFFAOYSA-N
Compound name
octadecyl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

2326
Patents

312.30283 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.31011 185.5
[M+Na]+ 335.29205 193.0
[M+NH4]+ 330.33665 191.0
[M+K]+ 351.26599 184.4
[M-H]- 311.29555 184.1
[M+Na-2H]- 333.27750 185.6
[M]+ 312.30228 185.8
[M]- 312.30338 185.8
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