CID 22103697

195447-36-0

Structural Information

Molecular Formula

C₅H₁₀F₃N

SMILES

CC(C)NCC(F)(F)F

InChI

InChI=1S/C5H10F3N/c1-4(2)9-3-5(6,7)8/h4,9H,3H2,1-2H3

InChIKey

HGYBLSGXXVTNCG-UHFFFAOYSA-N

Compound name

N-(2,2,2-trifluoroethyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 203
Patents: 141.07654 Da
Monoisotopic Mass: 1.7
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]+	142.083816	126.0
[M+Na]+	164.065758	133.1
[M-H]-	140.069264	122.6
[M+NH4]+	159.110363	147.4
[M+K]+	180.039698	132.7
[M+H-H2O]+	124.073800	119.2
[M+HCOO]-	186.074741	145.4
[M+CH3COO]-	200.090391	177.8
[M+Na-2H]-	162.051206	131.3
[M]+	141.07599142	121.0
[M]-	141.07708858	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe