CID 583741

4-hydroxy-4-phenylcyclohexan-1-one

Structural Information

Molecular Formula
C12H14O2
SMILES
C1CC(CCC1=O)(C2=CC=CC=C2)O
InChI
InChI=1S/C12H14O2/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-5,14H,6-9H2
InChIKey
FAQXRYQUQBSKEC-UHFFFAOYSA-N
Compound name
4-hydroxy-4-phenylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

190.09938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 141.4
[M+Na]+ 213.088598 147.6
[M-H]- 189.092104 146.5
[M+NH4]+ 208.133203 162.0
[M+K]+ 229.062538 144.7
[M+H-H2O]+ 173.096640 135.5
[M+HCOO]- 235.097581 161.4
[M+CH3COO]- 249.113231 178.3
[M+Na-2H]- 211.074046 147.5
[M]+ 190.09883142 136.6
[M]- 190.09992858 136.6
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

patents stripe