CID 22937888

2248407-13-6

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

COCCNCCC(=O)O

InChI

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

InChIKey

BVGXKFLELPHBDT-UHFFFAOYSA-N

Compound name

3-(2-methoxyethylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 147.08954 Da
Monoisotopic Mass: -3.1
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]+	148.09682	131.2
[M+Na]+	170.07876	137.1
[M-H]-	146.08226	130.0
[M+NH4]+	165.12336	151.5
[M+K]+	186.05270	137.1
[M+H-H2O]+	130.08680	126.1
[M+HCOO]-	192.08774	154.4
[M+CH3COO]-	206.10339	175.2
[M+Na-2H]-	168.06421	136.7
[M]+	147.08899	132.7
[M]-	147.09009	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe