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]+ 225.18491 155.2
[M+Na]+ 247.16685 156.5
[M-H]- 223.17035 159.8
[M+NH4]+ 242.21145 172.7
[M+K]+ 263.14079 154.9
[M+H-H2O]+ 207.17489 148.1
[M+HCOO]- 269.17583 170.5
[M+CH3COO]- 283.19148 188.8
[M+Na-2H]- 245.15230 155.2
[M]+ 224.17708 147.5
[M]- 224.17818 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