CID 58894698

Methyl 3-(2-aminoethoxy)propanoate hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

COC(=O)CCOCCN

InChI

InChI=1S/C6H13NO3/c1-9-6(8)2-4-10-5-3-7/h2-5,7H2,1H3

InChIKey

RXDJTVSRDUNFSQ-UHFFFAOYSA-N

Compound name

methyl 3-(2-aminoethoxy)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 147.08954 Da
Monoisotopic Mass: -1.0
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	137.6
[M-H]-	146.082264	130.9
[M+NH4]+	165.123363	152.0
[M+K]+	186.052698	138.2
[M+H-H2O]+	130.086800	126.0
[M+HCOO]-	192.087741	155.3
[M+CH3COO]-	206.103391	176.5
[M+Na-2H]-	168.064206	136.1
[M]+	147.08899142	133.6
[M]-	147.09008858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe