CID 28307088

Methyl 3-[(2-methoxyethyl)amino]propanoate

Structural Information

Molecular Formula

C₇H₁₅NO₃

SMILES

COCCNCCC(=O)OC

InChI

InChI=1S/C7H15NO3/c1-10-6-5-8-4-3-7(9)11-2/h8H,3-6H2,1-2H3

InChIKey

GTRHZOVTLYYYJH-UHFFFAOYSA-N

Compound name

methyl 3-(2-methoxyethylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 161.1052 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]+	162.11248	135.4
[M+Na]+	184.09442	141.4
[M-H]-	160.09792	135.5
[M+NH4]+	179.13902	156.0
[M+K]+	200.06836	142.1
[M+H-H2O]+	144.10246	130.0
[M+HCOO]-	206.10340	159.8
[M+CH3COO]-	220.11905	180.2
[M+Na-2H]-	182.07987	140.9
[M]+	161.10465	139.2
[M]-	161.10575	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe