CID 28565694

885221-00-1

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

COCCNCC(=O)OC

InChI

InChI=1S/C6H13NO3/c1-9-4-3-7-5-6(8)10-2/h7H,3-5H2,1-2H3

InChIKey

DOYRRBSQRQWDHJ-UHFFFAOYSA-N

Compound name

methyl 2-(2-methoxyethylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 147.08954 Da
Monoisotopic Mass: -0.4
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]+	148.096816	130.8
[M+Na]+	170.078758	137.2
[M-H]-	146.082264	131.0
[M+NH4]+	165.123363	151.9
[M+K]+	186.052698	138.2
[M+H-H2O]+	130.086800	125.5
[M+HCOO]-	192.087741	155.5
[M+CH3COO]-	206.103391	177.2
[M+Na-2H]-	168.064206	136.8
[M]+	147.08899142	134.2
[M]-	147.09008858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe