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

15
Patents

182.13068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 142.2
[M+Na]+ 205.11990 146.0
[M-H]- 181.12340 147.6
[M+NH4]+ 200.16450 163.3
[M+K]+ 221.09384 144.5
[M+H-H2O]+ 165.12794 136.0
[M+HCOO]- 227.12888 161.7
[M+CH3COO]- 241.14453 179.1
[M+Na-2H]- 203.10535 143.6
[M]+ 182.13013 136.3
[M]- 182.13123 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