CID 23594366

Ethyl 2-amino-3-cyclobutylpropanoate

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCOC(=O)C(CC1CCC1)N

InChI

InChI=1S/C9H17NO2/c1-2-12-9(11)8(10)6-7-4-3-5-7/h7-8H,2-6,10H2,1H3

InChIKey

LBMYKRXWOHTRIK-UHFFFAOYSA-N

Compound name

ethyl 2-amino-3-cyclobutylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 171.12593 Da
Monoisotopic Mass: 1.6
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]+	172.13321	143.3
[M+Na]+	194.11515	146.6
[M+NH4]+	189.15975	146.4
[M+K]+	210.08909	144.3
[M-H]-	170.11865	140.9
[M+Na-2H]-	192.10060	143.4
[M]+	171.12538	141.5
[M]-	171.12648	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe