CID 78941

5-methyl-2-(propan-2-yl)cyclohexyl pentanoate

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCC(=O)OC1CC(CCC1C(C)C)C
InChI
InChI=1S/C15H28O2/c1-5-6-7-15(16)17-14-10-12(4)8-9-13(14)11(2)3/h11-14H,5-10H2,1-4H3
InChIKey
LCJPVSLESAPYMK-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-ylcyclohexyl) pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

240.20892 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 161.1
[M+Na]+ 263.198138 164.6
[M-H]- 239.201644 163.4
[M+NH4]+ 258.242743 178.9
[M+K]+ 279.172078 163.3
[M+H-H2O]+ 223.206180 155.1
[M+HCOO]- 285.207121 177.9
[M+CH3COO]- 299.222771 197.1
[M+Na-2H]- 261.183586 159.3
[M]+ 240.20837142 160.5
[M]- 240.20946858 160.5
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.