CID 7015784

Pentyl 2-aminoacetate hydrochloride

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCCCCOC(=O)CN

InChI

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

InChIKey

UUDOEDPNQYWTMU-UHFFFAOYSA-N

Compound name

pentyl 2-aminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 767
Patents: 145.11028 Da
Monoisotopic Mass: 1.0
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