CID 221745

2-cyclohexyl cyclohexylacetate

Structural Information

Molecular Formula
C14H24O2
SMILES
CC(=O)OC1CCCCC1C2CCCCC2
InChI
InChI=1S/C14H24O2/c1-11(15)16-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h12-14H,2-10H2,1H3
InChIKey
ZEJHMZKXUUMYAY-UHFFFAOYSA-N
Compound name
(2-cyclohexylcyclohexyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.17763 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 155.2
[M+Na]+ 247.166848 156.5
[M-H]- 223.170354 159.8
[M+NH4]+ 242.211453 172.7
[M+K]+ 263.140788 154.9
[M+H-H2O]+ 207.174890 148.1
[M+HCOO]- 269.175831 170.5
[M+CH3COO]- 283.191481 188.8
[M+Na-2H]- 245.152296 155.2
[M]+ 224.17708142 147.5
[M]- 224.17817858 147.5
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

patents stripe