CID 20278116

93339-72-1

Structural Information

Molecular Formula

C₅H₁₀F₃N

SMILES

CC(C)(CC(F)(F)F)N

InChI

InChI=1S/C5H10F3N/c1-4(2,9)3-5(6,7)8/h3,9H2,1-2H3

InChIKey

XZLZSIPTAZHIIH-UHFFFAOYSA-N

Compound name

4,4,4-trifluoro-2-methylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 141.07654 Da
Monoisotopic Mass: 1.4
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]+	142.08382	125.8
[M+Na]+	164.06576	133.6
[M-H]-	140.06926	122.1
[M+NH4]+	159.11036	147.1
[M+K]+	180.03970	132.8
[M+H-H2O]+	124.07380	119.7
[M+HCOO]-	186.07474	144.0
[M+CH3COO]-	200.09039	176.7
[M+Na-2H]-	162.05121	132.1
[M]+	141.07599	119.9
[M]-	141.07709	119.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe