CID 84649708

2413185-57-4

Structural Information

Molecular Formula

C₅H₉F₂NO₂

SMILES

CN(C)CC(C(=O)O)(F)F

InChI

InChI=1S/C5H9F2NO2/c1-8(2)3-5(6,7)4(9)10/h3H2,1-2H3,(H,9,10)

InChIKey

YKQFAFDNQMKKST-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-2,2-difluoropropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 153.06013 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]+	154.06741	127.6
[M+Na]+	176.04935	134.7
[M-H]-	152.05285	125.6
[M+NH4]+	171.09395	148.3
[M+K]+	192.02329	135.5
[M+H-H2O]+	136.05739	121.6
[M+HCOO]-	198.05833	147.8
[M+CH3COO]-	212.07398	179.4
[M+Na-2H]-	174.03480	132.5
[M]+	153.05958	125.6
[M]-	153.06068	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe