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

8
Patents

196.14633 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 145.8
[M+Na]+ 219.135548 148.2
[M-H]- 195.139054 150.7
[M+NH4]+ 214.180153 164.4
[M+K]+ 235.109488 146.6
[M+H-H2O]+ 179.143590 138.9
[M+HCOO]- 241.144531 162.8
[M+CH3COO]- 255.160181 182.6
[M+Na-2H]- 217.120996 148.2
[M]+ 196.14578142 138.1
[M]- 196.14687858 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