CID 104454130

2-methyl-1-{[(1r,4r)-4-aminocyclohexyl]oxy}propan-2-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CC(C)(COC1CCC(CC1)N)O

InChI

InChI=1S/C10H21NO2/c1-10(2,12)7-13-9-5-3-8(11)4-6-9/h8-9,12H,3-7,11H2,1-2H3

InChIKey

GLQYJJIXLLMSGF-UHFFFAOYSA-N

Compound name

1-(4-aminocyclohexyl)oxy-2-methylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 187.15723 Da
Monoisotopic Mass: 0.4
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	144.7
[M+Na]+	210.146448	148.6
[M-H]-	186.149954	145.5
[M+NH4]+	205.191053	163.2
[M+K]+	226.120388	147.2
[M+H-H2O]+	170.154490	139.4
[M+HCOO]-	232.155431	162.2
[M+CH3COO]-	246.171081	182.6
[M+Na-2H]-	208.131896	148.1
[M]+	187.15668142	139.8
[M]-	187.15777858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe