CID 3016645

51356-54-8

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CN(C)C(C1CCCCC1O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H25NO2/c1-17(2)16(14-9-4-5-10-15(14)18)12-7-6-8-13(11-12)19-3/h6-8,11,14-16,18H,4-5,9-10H2,1-3H3

InChIKey

YGRVVAVXEZIIDQ-UHFFFAOYSA-N

Compound name

2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 263.18854 Da
Monoisotopic Mass: 2.8
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]+	264.195816	163.7
[M+Na]+	286.177758	166.7
[M-H]-	262.181264	169.3
[M+NH4]+	281.222363	179.7
[M+K]+	302.151698	165.1
[M+H-H2O]+	246.185800	156.0
[M+HCOO]-	308.186741	182.5
[M+CH3COO]-	322.202391	202.1
[M+Na-2H]-	284.163206	164.2
[M]+	263.18799142	160.9
[M]-	263.18908858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe