CID 17834763

3-[(2-hydroxyethyl)(methyl)amino]propanoic acid

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CN(CCC(=O)O)CCO

InChI

InChI=1S/C6H13NO3/c1-7(4-5-8)3-2-6(9)10/h8H,2-5H2,1H3,(H,9,10)

InChIKey

QEBLLSSGRQCVJI-UHFFFAOYSA-N

Compound name

3-[2-hydroxyethyl(methyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 147.08954 Da
Monoisotopic Mass: -3.2
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	131.8
[M+Na]+	170.07876	137.5
[M-H]-	146.08226	130.7
[M+NH4]+	165.12336	152.0
[M+K]+	186.05270	138.0
[M+H-H2O]+	130.08680	126.8
[M+HCOO]-	192.08774	154.0
[M+CH3COO]-	206.10339	176.1
[M+Na-2H]-	168.06421	136.0
[M]+	147.08899	132.7
[M]-	147.09009	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe