CID 3501942

149289-30-5

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O

InChI

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

InChIKey

MKAFOJAJJMUXLW-UHFFFAOYSA-N

Compound name

1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 17
References: 702
Patents: 263.18854 Da
Monoisotopic Mass: 3.0
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	164.1
[M+Na]+	286.177758	167.0
[M-H]-	262.181264	168.2
[M+NH4]+	281.222363	181.2
[M+K]+	302.151698	164.3
[M+H-H2O]+	246.185800	157.0
[M+HCOO]-	308.186741	182.5
[M+CH3COO]-	322.202391	197.0
[M+Na-2H]-	284.163206	167.2
[M]+	263.18799142	160.0
[M]-	263.18908858	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe