CID 3053226

Brn 2974471

Structural Information

Molecular Formula
C14H18O2
SMILES
C1CC(CC(=O)C1)C2=CC=C(C=C2)CCO
InChI
InChI=1S/C14H18O2/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(16)10-13/h4-7,13,15H,1-3,8-10H2
InChIKey
VEFRPWPKCVMZMU-UHFFFAOYSA-N
Compound name
3-[4-(2-hydroxyethyl)phenyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 149.6
[M+Na]+ 241.119898 154.8
[M-H]- 217.123404 154.2
[M+NH4]+ 236.164503 167.2
[M+K]+ 257.093838 151.2
[M+H-H2O]+ 201.127940 142.8
[M+HCOO]- 263.128881 168.8
[M+CH3COO]- 277.144531 186.0
[M+Na-2H]- 239.105346 152.8
[M]+ 218.13013142 145.5
[M]- 218.13122858 145.5
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.