CID 122702900

1864820-70-1

Structural Information

Molecular Formula

C₈H₁₃F₃N₂O

SMILES

CC1CCNCC1NC(=O)C(F)(F)F

InChI

InChI=1S/C8H13F3N2O/c1-5-2-3-12-4-6(5)13-7(14)8(9,10)11/h5-6,12H,2-4H2,1H3,(H,13,14)

InChIKey

WAQXQDZQKQGXSP-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 210.09799 Da
Monoisotopic Mass: 1.2
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]+	211.10527	144.1
[M+Na]+	233.08721	149.3
[M-H]-	209.09071	140.3
[M+NH4]+	228.13181	160.4
[M+K]+	249.06115	146.7
[M+H-H2O]+	193.09525	135.6
[M+HCOO]-	255.09619	157.5
[M+CH3COO]-	269.11184	184.7
[M+Na-2H]-	231.07266	146.6
[M]+	210.09744	133.4
[M]-	210.09854	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe