CID 14094492

2490404-38-9

Structural Information

Molecular Formula

C₆H₁₁NO₄

SMILES

CCOC(=O)CNCC(=O)O

InChI

InChI=1S/C6H11NO4/c1-2-11-6(10)4-7-3-5(8)9/h7H,2-4H2,1H3,(H,8,9)

InChIKey

VVKZCUGDWOHEBO-UHFFFAOYSA-N

Compound name

2-[(2-ethoxy-2-oxoethyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 161.0688 Da
Monoisotopic Mass: -2.6
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]+	162.076076	133.0
[M+Na]+	184.058018	138.9
[M-H]-	160.061524	131.8
[M+NH4]+	179.102623	152.5
[M+K]+	200.031958	139.3
[M+H-H2O]+	144.066060	127.8
[M+HCOO]-	206.067001	155.6
[M+CH3COO]-	220.082651	176.6
[M+Na-2H]-	182.043466	137.2
[M]+	161.06825142	134.5
[M]-	161.06934858	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe