CID 98127

84604-97-7

Structural Information

Molecular Formula

C₁₅H₂₀O

SMILES

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

InChI

InChI=1S/C15H20O/c1-11(2)12-7-9-13(10-8-12)14-5-3-4-6-15(14)16/h7-11,14H,3-6H2,1-2H3

InChIKey

ALUSOLIOHPWGNL-UHFFFAOYSA-N

Compound name

2-(4-propan-2-ylphenyl)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 216.15141 Da
Monoisotopic Mass: 3.8
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]+	217.158686	150.2
[M+Na]+	239.140628	155.2
[M-H]-	215.144134	156.2
[M+NH4]+	234.185233	168.6
[M+K]+	255.114568	152.2
[M+H-H2O]+	199.148670	143.3
[M+HCOO]-	261.149611	169.4
[M+CH3COO]-	275.165261	190.4
[M+Na-2H]-	237.126076	152.2
[M]+	216.15086142	146.2
[M]-	216.15195858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe