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

112
Patents

190.09938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 141.4
[M+Na]+ 213.08860 147.6
[M-H]- 189.09210 146.5
[M+NH4]+ 208.13320 162.0
[M+K]+ 229.06254 144.7
[M+H-H2O]+ 173.09664 135.5
[M+HCOO]- 235.09758 161.4
[M+CH3COO]- 249.11323 178.3
[M+Na-2H]- 211.07405 147.5
[M]+ 190.09883 136.5
[M]- 190.09993 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