CID 14952374

159291-02-8

Structural Information

Molecular Formula

C₅H₁₀F₃N

SMILES

C(CCN)CC(F)(F)F

InChI

InChI=1S/C5H10F3N/c6-5(7,8)3-1-2-4-9/h1-4,9H2

InChIKey

YXJKYHJIINJMFM-UHFFFAOYSA-N

Compound name

5,5,5-trifluoropentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 141.07654 Da
Monoisotopic Mass: 0.9
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	126.1
[M+Na]+	164.06576	133.4
[M-H]-	140.06926	122.0
[M+NH4]+	159.11036	147.2
[M+K]+	180.03970	132.2
[M+H-H2O]+	124.07380	119.3
[M+HCOO]-	186.07474	145.8
[M+CH3COO]-	200.09039	176.3
[M+Na-2H]-	162.05121	131.6
[M]+	141.07599	120.8
[M]-	141.07709	120.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe