CID 49853528

Ethyl 3-amino-2,2-difluoropropanoate hydrochloride

Structural Information

Molecular Formula

C₅H₉F₂NO₂

SMILES

CCOC(=O)C(CN)(F)F

InChI

InChI=1S/C5H9F2NO2/c1-2-10-4(9)5(6,7)3-8/h2-3,8H2,1H3

InChIKey

QMBGDVNODKCBRZ-UHFFFAOYSA-N

Compound name

ethyl 3-amino-2,2-difluoropropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 153.06013 Da
Monoisotopic Mass: -0.2
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]+	154.06741	131.2
[M+Na]+	176.04935	137.8
[M+NH4]+	171.09395	136.5
[M+K]+	192.02329	134.8
[M-H]-	152.05285	126.7
[M+Na-2H]-	174.03480	132.7
[M]+	153.05958	130.3
[M]-	153.06068	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe