CID 76155

Butyl glycinate

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCCCOC(=O)CN

InChI

InChI=1S/C6H13NO2/c1-2-3-4-9-6(8)5-7/h2-5,7H2,1H3

InChIKey

ONDMKQWGMAVUNZ-UHFFFAOYSA-N

Compound name

butyl 2-aminoacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1512
Patents: 131.09464 Da
Monoisotopic Mass: 0.5
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]+	132.101916	128.6
[M+Na]+	154.083858	135.1
[M-H]-	130.087364	128.4
[M+NH4]+	149.128463	150.2
[M+K]+	170.057798	135.2
[M+H-H2O]+	114.091900	123.6
[M+HCOO]-	176.092841	152.5
[M+CH3COO]-	190.108491	174.5
[M+Na-2H]-	152.069306	133.5
[M]+	131.09409142	129.5
[M]-	131.09518858	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe