CID 43090336

Ethyl(3,3,3-trifluoropropyl)amine hydrochloride

Structural Information

Molecular Formula

C₅H₁₀F₃N

SMILES

CCNCCC(F)(F)F

InChI

InChI=1S/C5H10F3N/c1-2-9-4-3-5(6,7)8/h9H,2-4H2,1H3

InChIKey

DDCUMHOQMAWOKZ-UHFFFAOYSA-N

Compound name

N-ethyl-3,3,3-trifluoropropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 141.07654 Da
Monoisotopic Mass: 1.6
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	125.7
[M+Na]+	164.065758	133.0
[M-H]-	140.069264	122.2
[M+NH4]+	159.110363	147.1
[M+K]+	180.039698	132.2
[M+H-H2O]+	124.073800	118.9
[M+HCOO]-	186.074741	146.1
[M+CH3COO]-	200.090391	177.0
[M+Na-2H]-	162.051206	132.3
[M]+	141.07599142	121.4
[M]-	141.07708858	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe