CID 21611768

124668-52-6

Structural Information

Molecular Formula

C₆H₉F₃N₂O

SMILES

C1C(CN1)CNC(=O)C(F)(F)F

InChI

InChI=1S/C6H9F3N2O/c7-6(8,9)5(12)11-3-4-1-10-2-4/h4,10H,1-3H2,(H,11,12)

InChIKey

MCXLBCYLYDHJOT-UHFFFAOYSA-N

Compound name

N-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 182.0667 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]+	183.07398	138.7
[M+Na]+	205.05592	143.4
[M-H]-	181.05942	135.4
[M+NH4]+	200.10052	149.5
[M+K]+	221.02986	144.6
[M+H-H2O]+	165.06396	125.0
[M+HCOO]-	227.06490	153.6
[M+CH3COO]-	241.08055	182.5
[M+Na-2H]-	203.04137	142.3
[M]+	182.06615	139.3
[M]-	182.06725	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe