CID 122163981

Ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate hydrochloride

Structural Information

Molecular Formula

C₉H₁₄F₃NO₂

SMILES

CCOC(=O)C(C1CCC1)(C(F)(F)F)N

InChI

InChI=1S/C9H14F3NO2/c1-2-15-7(14)8(13,9(10,11)12)6-4-3-5-6/h6H,2-5,13H2,1H3

InChIKey

YWAYOSHSFQETOD-UHFFFAOYSA-N

Compound name

ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.09766 Da
Monoisotopic Mass: 1.8
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]+	226.104936	150.2
[M+Na]+	248.086878	154.3
[M-H]-	224.090384	148.9
[M+NH4]+	243.131483	161.1
[M+K]+	264.060818	156.3
[M+H-H2O]+	208.094920	137.3
[M+HCOO]-	270.095861	164.9
[M+CH3COO]-	284.111511	193.0
[M+Na-2H]-	246.072326	152.6
[M]+	225.09711142	153.0
[M]-	225.09820858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.