CID 582159

Dodecyl cyclohexanecarboxylate

Structural Information

Molecular Formula
C19H36O2
SMILES
CCCCCCCCCCCCOC(=O)C1CCCCC1
InChI
InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)18-15-12-11-13-16-18/h18H,2-17H2,1H3
InChIKey
VKXPLQQDMIORSG-UHFFFAOYSA-N
Compound name
dodecyl cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

296.27155 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.278826 180.9
[M+Na]+ 319.260768 180.9
[M-H]- 295.264274 181.4
[M+NH4]+ 314.305373 195.8
[M+K]+ 335.234708 178.1
[M+H-H2O]+ 279.268810 173.2
[M+HCOO]- 341.269751 197.3
[M+CH3COO]- 355.285401 205.9
[M+Na-2H]- 317.246216 179.4
[M]+ 296.27100142 181.6
[M]- 296.27209858 181.6
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