CID 7015784

203302-88-9

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: 1518
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]+	146.117556	133.2
[M+Na]+	168.099498	139.3
[M-H]-	144.103004	132.8
[M+NH4]+	163.144103	154.2
[M+K]+	184.073438	139.2
[M+H-H2O]+	128.107540	128.1
[M+HCOO]-	190.108481	156.8
[M+CH3COO]-	204.124131	177.5
[M+Na-2H]-	166.084946	137.6
[M]+	145.10973142	134.5
[M]-	145.11082858	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe