CID 10655030

2-(oxan-2-yl)cyclohexan-1-one

Structural Information

Molecular Formula
C11H18O2
SMILES
C1CCC(=O)C(C1)C2CCCCO2
InChI
InChI=1S/C11H18O2/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h9,11H,1-8H2
InChIKey
LHFVBLSVRNCRIM-UHFFFAOYSA-N
Compound name
2-(oxan-2-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 141.1
[M+Na]+ 205.11990 144.0
[M-H]- 181.12340 146.8
[M+NH4]+ 200.16450 159.0
[M+K]+ 221.09384 143.6
[M+H-H2O]+ 165.12794 134.4
[M+HCOO]- 227.12888 157.5
[M+CH3COO]- 241.14453 179.5
[M+Na-2H]- 203.10535 144.9
[M]+ 182.13013 133.6
[M]- 182.13123 133.6
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

No patent data available for this compound.