CID 9795857

93413-77-5

Structural Information

Molecular Formula

C₁₅H₂₃NO₂

SMILES

COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O

InChI

InChI=1S/C15H23NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-11,16H2,1H3

InChIKey

SUQHIQRIIBKNOR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 578
Patents: 249.17288 Da
Monoisotopic Mass: 2.5
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]+	250.18016	160.5
[M+Na]+	272.16210	163.8
[M-H]-	248.16560	164.2
[M+NH4]+	267.20670	177.9
[M+K]+	288.13604	160.9
[M+H-H2O]+	232.17014	153.6
[M+HCOO]-	294.17108	178.5
[M+CH3COO]-	308.18673	193.4
[M+Na-2H]-	270.14755	163.0
[M]+	249.17233	155.0
[M]-	249.17343	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe