CID 1987732

N-(3-hydroxypropyl)trifluoroacetamide

Structural Information

Molecular Formula

C₅H₈F₃NO₂

SMILES

C(CNC(=O)C(F)(F)F)CO

InChI

InChI=1S/C5H8F3NO2/c6-5(7,8)4(11)9-2-1-3-10/h10H,1-3H2,(H,9,11)

InChIKey

LOTWHTFZRDJSCL-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 104
Patents: 171.05072 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]+	172.05800	136.8
[M+Na]+	194.03994	142.1
[M+NH4]+	189.08454	140.9
[M+K]+	210.01388	139.2
[M-H]-	170.04344	130.6
[M+Na-2H]-	192.02539	137.3
[M]+	171.05017	135.2
[M]-	171.05127	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe