CID 60123976

3-[2-(methylamino)ethoxy]propanoic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CNCCOCCC(=O)O

InChI

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

InChIKey

KCIBCMLJZUPOAJ-UHFFFAOYSA-N

Compound name

3-[2-(methylamino)ethoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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]+	148.096816	131.2
[M+Na]+	170.078758	137.1
[M-H]-	146.082264	130.0
[M+NH4]+	165.123363	151.5
[M+K]+	186.052698	137.1
[M+H-H2O]+	130.086800	126.1
[M+HCOO]-	192.087741	154.4
[M+CH3COO]-	206.103391	175.2
[M+Na-2H]-	168.064206	136.7
[M]+	147.08899142	132.7
[M]-	147.09008858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe