CID 64146888

Methyl 2-amino-4,4-difluorobutanoate hydrochloride

Structural Information

Molecular Formula

C₅H₉F₂NO₂

SMILES

COC(=O)C(CC(F)F)N

InChI

InChI=1S/C5H9F2NO2/c1-10-5(9)3(8)2-4(6)7/h3-4H,2,8H2,1H3

InChIKey

XPDDUHZHOWSLCC-UHFFFAOYSA-N

Compound name

methyl 2-amino-4,4-difluorobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 153.06013 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]+	154.06741	131.5
[M+Na]+	176.04935	137.7
[M+NH4]+	171.09395	136.7
[M+K]+	192.02329	135.1
[M-H]-	152.05285	127.1
[M+Na-2H]-	174.03480	132.3
[M]+	153.05958	130.5
[M]-	153.06068	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe