CID 85427

Tetradecyl octanoate

Structural Information

Molecular Formula
C22H44O2
SMILES
CCCCCCCCCCCCCCOC(=O)CCCCCCC
InChI
InChI=1S/C22H44O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-21-24-22(23)20-18-16-8-6-4-2/h3-21H2,1-2H3
InChIKey
HJUSCZXBOMVODD-UHFFFAOYSA-N
Compound name
tetradecyl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

652
Patents

340.33414 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.34142 194.2
[M+Na]+ 363.32336 201.3
[M+NH4]+ 358.36796 199.3
[M+K]+ 379.29730 192.3
[M-H]- 339.32686 192.7
[M+Na-2H]- 361.30881 193.8
[M]+ 340.33359 194.4
[M]- 340.33469 194.4
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