CID 3056578

73806-40-3

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

COC1=CC=CC(=C1)C2(CCCCC2CN)O

InChI

InChI=1S/C14H21NO2/c1-17-13-7-4-6-11(9-13)14(16)8-3-2-5-12(14)10-15/h4,6-7,9,12,16H,2-3,5,8,10,15H2,1H3

InChIKey

QNPPIKMBCJUUTG-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 14
Patents: 235.15723 Da
Monoisotopic Mass: 2.2
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]+	236.16451	155.4
[M+Na]+	258.14645	166.4
[M+NH4]+	253.19105	165.2
[M+K]+	274.12039	157.9
[M-H]-	234.14995	159.6
[M+Na-2H]-	256.13190	163.2
[M]+	235.15668	158.1
[M]-	235.15778	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe