CID 61936552

Ethyl 2-(cyclopropylamino)-3-methoxypropanoate hydrochloride

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CCOC(=O)C(COC)NC1CC1

InChI

InChI=1S/C9H17NO3/c1-3-13-9(11)8(6-12-2)10-7-4-5-7/h7-8,10H,3-6H2,1-2H3

InChIKey

VOOJKEYWUQROJS-UHFFFAOYSA-N

Compound name

ethyl 2-(cyclopropylamino)-3-methoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.12085 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]+	188.128126	142.2
[M+Na]+	210.110068	149.2
[M-H]-	186.113574	146.5
[M+NH4]+	205.154673	156.8
[M+K]+	226.084008	148.0
[M+H-H2O]+	170.118110	135.8
[M+HCOO]-	232.119051	165.3
[M+CH3COO]-	246.134701	188.6
[M+Na-2H]-	208.095516	146.1
[M]+	187.12030142	147.3
[M]-	187.12139858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.