CID 3018504

Ns00059637

Structural Information

Molecular Formula
C19H36O2
SMILES
CCCCCCCCCCCC(=O)OC1(CCCCC1)C
InChI
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-12-15-18(20)21-19(2)16-13-11-14-17-19/h3-17H2,1-2H3
InChIKey
CCXBUGPDDXSTNI-UHFFFAOYSA-N
Compound name
(1-methylcyclohexyl) dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.27155 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.278826 180.0
[M+Na]+ 319.260768 181.0
[M-H]- 295.264274 180.9
[M+NH4]+ 314.305373 197.0
[M+K]+ 335.234708 178.5
[M+H-H2O]+ 279.268810 173.3
[M+HCOO]- 341.269751 196.5
[M+CH3COO]- 355.285401 205.4
[M+Na-2H]- 317.246216 179.7
[M]+ 296.27100142 181.0
[M]- 296.27209858 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.