CID 10420939

2-(1-hydroxycyclohexyl)-1-phenylethanone

Structural Information

Molecular Formula
C14H18O2
SMILES
C1CCC(CC1)(CC(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C14H18O2/c15-13(12-7-3-1-4-8-12)11-14(16)9-5-2-6-10-14/h1,3-4,7-8,16H,2,5-6,9-11H2
InChIKey
HRPUANCEDYZMFT-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclohexyl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

665
Patents

218.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 151.5
[M+Na]+ 241.119898 155.5
[M-H]- 217.123404 155.8
[M+NH4]+ 236.164503 170.4
[M+K]+ 257.093838 152.5
[M+H-H2O]+ 201.127940 145.0
[M+HCOO]- 263.128881 169.7
[M+CH3COO]- 277.144531 184.1
[M+Na-2H]- 239.105346 155.8
[M]+ 218.13013142 146.2
[M]- 218.13122858 146.2
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