CID 104455862

4-(cyclopentyloxy)cyclohexan-1-one

Structural Information

Molecular Formula
C11H18O2
SMILES
C1CCC(C1)OC2CCC(=O)CC2
InChI
InChI=1S/C11H18O2/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h10-11H,1-8H2
InChIKey
OORTZLWQAQITMM-UHFFFAOYSA-N
Compound name
4-cyclopentyloxycyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

182.13068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 142.2
[M+Na]+ 205.119898 146.0
[M-H]- 181.123404 147.6
[M+NH4]+ 200.164503 163.3
[M+K]+ 221.093838 144.5
[M+H-H2O]+ 165.127940 136.0
[M+HCOO]- 227.128881 161.7
[M+CH3COO]- 241.144531 179.1
[M+Na-2H]- 203.105346 143.6
[M]+ 182.13013142 136.3
[M]- 182.13122858 136.3
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