CID 1810164

Methyl 6-aminohexanoate hydrochloride

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

COC(=O)CCCCCN

InChI

InChI=1S/C7H15NO2/c1-10-7(9)5-3-2-4-6-8/h2-6,8H2,1H3

InChIKey

TZJVWRXHKAXSEA-UHFFFAOYSA-N

Compound name

methyl 6-aminohexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1779
Patents: 145.11028 Da
Monoisotopic Mass: -0.3
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	132.4
[M+Na]+	168.09950	140.9
[M+NH4]+	163.14410	139.4
[M+K]+	184.07344	136.1
[M-H]-	144.10300	131.5
[M+Na-2H]-	166.08495	135.0
[M]+	145.10973	132.9
[M]-	145.11083	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe