CID 10442375

Schembl29241679

Structural Information

Molecular Formula

C₆H₁₁F₃N₂O

SMILES

C(CCNC(=O)C(F)(F)F)CN

InChI

InChI=1S/C6H11F3N2O/c7-6(8,9)5(12)11-4-2-1-3-10/h1-4,10H2,(H,11,12)

InChIKey

MFFODTFMVNBBKB-UHFFFAOYSA-N

Compound name

N-(4-aminobutyl)-2,2,2-trifluoroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 184.08235 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]+	185.08963	136.3
[M+Na]+	207.07157	142.5
[M-H]-	183.07507	132.1
[M+NH4]+	202.11617	155.3
[M+K]+	223.04551	141.3
[M+H-H2O]+	167.07961	128.7
[M+HCOO]-	229.08055	156.2
[M+CH3COO]-	243.09620	185.3
[M+Na-2H]-	205.05702	140.3
[M]+	184.08180	130.6
[M]-	184.08290	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe