CID 24696392

2361643-56-1

Structural Information

Molecular Formula

C₅H₉F₃N₂O

SMILES

CNCC(=O)NCC(F)(F)F

InChI

InChI=1S/C5H9F3N2O/c1-9-2-4(11)10-3-5(6,7)8/h9H,2-3H2,1H3,(H,10,11)

InChIKey

FJJRKSLJBACRHQ-UHFFFAOYSA-N

Compound name

2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 170.0667 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]+	171.07398	131.5
[M+Na]+	193.05592	138.0
[M-H]-	169.05942	128.0
[M+NH4]+	188.10052	151.2
[M+K]+	209.02986	137.4
[M+H-H2O]+	153.06396	124.0
[M+HCOO]-	215.06490	152.3
[M+CH3COO]-	229.08055	183.0
[M+Na-2H]-	191.04137	137.0
[M]+	170.06615	126.3
[M]-	170.06725	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe