CID 15736064

171083-44-6

Structural Information

Molecular Formula

C₅H₉F₂NO₂

SMILES

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

InChI

InChI=1S/C5H9F2NO2/c1-5(6,7)3(8)4(9)10-2/h3H,8H2,1-2H3

InChIKey

XGBYRPAKIAUCHJ-UHFFFAOYSA-N

Compound name

methyl 2-amino-3,3-difluorobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.06013 Da
Monoisotopic Mass: 0.3
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	137.8
[M+NH4]+	171.09395	136.6
[M+K]+	192.02329	135.5
[M-H]-	152.05285	126.7
[M+Na-2H]-	174.03480	132.6
[M]+	153.05958	130.5
[M]-	153.06068	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.