CID 63950387

2-(furan-3-yl)cyclohexan-1-one

Structural Information

Molecular Formula
C10H12O2
SMILES
C1CCC(=O)C(C1)C2=COC=C2
InChI
InChI=1S/C10H12O2/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h5-7,9H,1-4H2
InChIKey
KTHZUSWHWXSECM-UHFFFAOYSA-N
Compound name
2-(furan-3-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

164.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 134.4
[M+Na]+ 187.07294 146.3
[M+NH4]+ 182.11754 143.8
[M+K]+ 203.04688 141.8
[M-H]- 163.07644 139.3
[M+Na-2H]- 185.05839 140.9
[M]+ 164.08317 137.4
[M]- 164.08427 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe