CID 55284823

4-amino-1-(hydroxymethyl)cyclohexan-1-ol hydrochloride

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

C1CC(CCC1N)(CO)O

InChI

InChI=1S/C7H15NO2/c8-6-1-3-7(10,5-9)4-2-6/h6,9-10H,1-5,8H2

InChIKey

YLPLUFVHHFZVQA-UHFFFAOYSA-N

Compound name

4-amino-1-(hydroxymethyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 145.11028 Da
Monoisotopic Mass: -0.9
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]+	146.11756	130.7
[M+Na]+	168.09950	139.2
[M+NH4]+	163.14410	140.0
[M+K]+	184.07344	133.0
[M-H]-	144.10300	131.6
[M+Na-2H]-	166.08495	135.7
[M]+	145.10973	131.9
[M]-	145.11083	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe