CID 104455685

4-(cyclohexyloxy)cyclohexan-1-one

Structural Information

Molecular Formula
C12H20O2
SMILES
C1CCC(CC1)OC2CCC(=O)CC2
InChI
InChI=1S/C12H20O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h11-12H,1-9H2
InChIKey
DFVLNTSALHEZOQ-UHFFFAOYSA-N
Compound name
4-cyclohexyloxycyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

196.14633 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 145.8
[M+Na]+ 219.13555 148.2
[M-H]- 195.13905 150.7
[M+NH4]+ 214.18015 164.4
[M+K]+ 235.10949 146.6
[M+H-H2O]+ 179.14359 138.9
[M+HCOO]- 241.14453 162.8
[M+CH3COO]- 255.16018 182.6
[M+Na-2H]- 217.12100 148.2
[M]+ 196.14578 138.1
[M]- 196.14688 138.1
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