CID 55285113

Ethyl (2s)-2-amino-3-methoxypropanoate hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CCOC(=O)[C@H](COC)N

InChI

InChI=1S/C6H13NO3/c1-3-10-6(8)5(7)4-9-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1

InChIKey

VXWSCHZRGXBNCY-YFKPBYRVSA-N

Compound name

ethyl (2S)-2-amino-3-methoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 147.08954 Da
Monoisotopic Mass: -0.5
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	131.8
[M+Na]+	170.078758	138.0
[M-H]-	146.082264	131.6
[M+NH4]+	165.123363	152.6
[M+K]+	186.052698	139.1
[M+H-H2O]+	130.086800	126.7
[M+HCOO]-	192.087741	155.0
[M+CH3COO]-	206.103391	177.4
[M+Na-2H]-	168.064206	135.4
[M]+	147.08899142	133.5
[M]-	147.09008858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe