CID 73553953

1956311-12-8

Structural Information

Molecular Formula

C₆H₁₁F₂NO₂

SMILES

CCOC(=O)C(CNC)(F)F

InChI

InChI=1S/C6H11F2NO2/c1-3-11-5(10)6(7,8)4-9-2/h9H,3-4H2,1-2H3

InChIKey

QQGZAZXFFVPRKU-UHFFFAOYSA-N

Compound name

ethyl 2,2-difluoro-3-(methylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.07579 Da
Monoisotopic Mass: 0.7
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]+	168.08307	132.6
[M+Na]+	190.06501	139.6
[M-H]-	166.06851	130.4
[M+NH4]+	185.10961	152.9
[M+K]+	206.03895	139.6
[M+H-H2O]+	150.07305	126.3
[M+HCOO]-	212.07399	153.5
[M+CH3COO]-	226.08964	180.9
[M+Na-2H]-	188.05046	138.2
[M]+	167.07524	131.6
[M]-	167.07634	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.