CID 87715

18594-05-3

Structural Information

Molecular Formula

C₁₄H₁₈O

SMILES

CC(=O)C1=CC=C(C=C1)C2CCCCC2

InChI

InChI=1S/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3

InChIKey

MSDQNIRGPBARGC-UHFFFAOYSA-N

Compound name

1-(4-cyclohexylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 439
Patents: 202.13577 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.143046	146.3
[M+Na]+	225.124988	150.7
[M-H]-	201.128494	152.0
[M+NH4]+	220.169593	164.9
[M+K]+	241.098928	147.9
[M+H-H2O]+	185.133030	139.3
[M+HCOO]-	247.133971	165.8
[M+CH3COO]-	261.149621	186.2
[M+Na-2H]-	223.110436	149.4
[M]+	202.13522142	141.5
[M]-	202.13631858	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe