CID 3056663

2-(1-naphthyloxy)-1-cyclohexanone

Structural Information

Molecular Formula

C₁₆H₁₆O₂

SMILES

C1CCC(=O)C(C1)OC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C16H16O2/c17-14-9-3-4-10-16(14)18-15-11-5-7-12-6-1-2-8-13(12)15/h1-2,5-8,11,16H,3-4,9-10H2

InChIKey

XXGVNKBVPMFYFE-UHFFFAOYSA-N

Compound name

2-naphthalen-1-yloxycyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 240.11504 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]+	241.122316	152.8
[M+Na]+	263.104258	158.9
[M-H]-	239.107764	159.7
[M+NH4]+	258.148863	170.9
[M+K]+	279.078198	154.9
[M+H-H2O]+	223.112300	145.0
[M+HCOO]-	285.113241	172.6
[M+CH3COO]-	299.128891	164.7
[M+Na-2H]-	261.089706	158.5
[M]+	240.11449142	149.8
[M]-	240.11558858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe