CID 20468444

78347-69-0

Structural Information

Molecular Formula

C₆H₁₁F₂NO₂

SMILES

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

InChI

InChI=1S/C6H11F2NO2/c1-2-11-5(10)3-4(9)6(7)8/h4,6H,2-3,9H2,1H3

InChIKey

ANIRNWHKJHODFG-UHFFFAOYSA-N

Compound name

ethyl 3-amino-4,4-difluorobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 167.07579 Da
Monoisotopic Mass: 0.4
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	134.2
[M+Na]+	190.06501	140.3
[M-H]-	166.06851	131.3
[M+NH4]+	185.10961	154.0
[M+K]+	206.03895	140.5
[M+H-H2O]+	150.07305	127.4
[M+HCOO]-	212.07399	154.0
[M+CH3COO]-	226.08964	181.7
[M+Na-2H]-	188.05046	135.4
[M]+	167.07524	131.3
[M]-	167.07634	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe