CID 2758357

2-((2,2-difluoropropyl)amino)ethanol

Structural Information

Molecular Formula

C₅H₁₁F₂NO

SMILES

CC(CNCCO)(F)F

InChI

InChI=1S/C5H11F2NO/c1-5(6,7)4-8-2-3-9/h8-9H,2-4H2,1H3

InChIKey

LAGPFVVEINXXFN-UHFFFAOYSA-N

Compound name

2-(2,2-difluoropropylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 139.08087 Da
Monoisotopic Mass: 0.2
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]+	140.08815	126.7
[M+Na]+	162.07009	133.5
[M-H]-	138.07359	123.1
[M+NH4]+	157.11469	147.4
[M+K]+	178.04403	132.5
[M+H-H2O]+	122.07813	120.8
[M+HCOO]-	184.07907	146.8
[M+CH3COO]-	198.09472	174.0
[M+Na-2H]-	160.05554	133.4
[M]+	139.08032	123.3
[M]-	139.08142	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe