CID 537575

3-(trifluoroacetamido)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₆H₉F₃N₂O

SMILES

C1CNCC1NC(=O)C(F)(F)F

InChI

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

InChIKey

MWYCOIQCRXURNA-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 278
Patents: 182.0667 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]+	183.07398	134.6
[M+Na]+	205.05592	140.4
[M-H]-	181.05942	131.1
[M+NH4]+	200.10052	153.6
[M+K]+	221.02986	138.5
[M+H-H2O]+	165.06396	126.3
[M+HCOO]-	227.06490	150.8
[M+CH3COO]-	241.08055	177.1
[M+Na-2H]-	203.04137	137.7
[M]+	182.06615	124.9
[M]-	182.06725	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe