CID 154699686

Ns00117431

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CC(CC1CC(CCC1OC)O)N

InChI

InChI=1S/C10H21NO2/c1-7(11)5-8-6-9(12)3-4-10(8)13-2/h7-10,12H,3-6,11H2,1-2H3

InChIKey

IPNIOEZCSLMIQL-UHFFFAOYSA-N

Compound name

3-(2-aminopropyl)-4-methoxycyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.15723 Da
Monoisotopic Mass: 0.5
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]+	188.164506	145.1
[M+Na]+	210.146448	149.3
[M-H]-	186.149954	146.1
[M+NH4]+	205.191053	163.8
[M+K]+	226.120388	148.0
[M+H-H2O]+	170.154490	139.5
[M+HCOO]-	232.155431	163.2
[M+CH3COO]-	246.171081	184.3
[M+Na-2H]-	208.131896	145.8
[M]+	187.15668142	140.4
[M]-	187.15777858	140.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.