CID 4598916

105640-07-1

Structural Information

Molecular Formula
C12H14O2
SMILES
C1CC(=O)CCC1C2=CC=C(C=C2)O
InChI
InChI=1S/C12H14O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10,13H,3-4,7-8H2
InChIKey
SLJYPZJZQIHNGU-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

570
Patents

190.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 140.4
[M+Na]+ 213.088598 146.5
[M-H]- 189.092104 145.5
[M+NH4]+ 208.133203 159.2
[M+K]+ 229.062538 143.4
[M+H-H2O]+ 173.096640 134.1
[M+HCOO]- 235.097581 160.3
[M+CH3COO]- 249.113231 179.9
[M+Na-2H]- 211.074046 144.8
[M]+ 190.09883142 135.6
[M]- 190.09992858 135.6
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