CID 3056583

Brn 2859343

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CN(C)CC1CCCCC1(C2=CC=C(C=C2)OC)O

InChI

InChI=1S/C16H25NO2/c1-17(2)12-14-6-4-5-11-16(14,18)13-7-9-15(19-3)10-8-13/h7-10,14,18H,4-6,11-12H2,1-3H3

InChIKey

OAWLIWXTBJFNDP-UHFFFAOYSA-N

Compound name

2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 263.18854 Da
Monoisotopic Mass: 2.6
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	163.2
[M+Na]+	286.177758	167.5
[M-H]-	262.181264	169.2
[M+NH4]+	281.222363	181.4
[M+K]+	302.151698	165.7
[M+H-H2O]+	246.185800	156.1
[M+HCOO]-	308.186741	183.1
[M+CH3COO]-	322.202391	200.7
[M+Na-2H]-	284.163206	166.1
[M]+	263.18799142	161.4
[M]-	263.18908858	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe