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

2
Annotation Hits: 0
References: 85
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]+	172.133206	142.3
[M+Na]+	194.115148	145.1
[M-H]-	170.118654	144.6
[M+NH4]+	189.159753	155.2
[M+K]+	210.089088	148.1
[M+H-H2O]+	154.123190	130.8
[M+HCOO]-	216.124131	162.2
[M+CH3COO]-	230.139781	185.8
[M+Na-2H]-	192.100596	143.7
[M]+	171.12538142	149.2
[M]-	171.12647858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe