CID 542479

2-[(2-methoxyethyl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CC(C(=O)O)NCCOC

InChI

InChI=1S/C6H13NO3/c1-5(6(8)9)7-3-4-10-2/h5,7H,3-4H2,1-2H3,(H,8,9)

InChIKey

ORLILEMRVCDWKB-UHFFFAOYSA-N

Compound name

2-(2-methoxyethylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 147.08954 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]+	148.09682	131.4
[M+Na]+	170.07876	139.1
[M+NH4]+	165.12336	137.7
[M+K]+	186.05270	136.0
[M-H]-	146.08226	129.5
[M+Na-2H]-	168.06421	133.3
[M]+	147.08899	131.4
[M]-	147.09009	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe