CID 63105561

N-trifluoroacetyl-1,3-propylenediamine hydrochloride

Structural Information

Molecular Formula

C₅H₉F₃N₂O

SMILES

C(CN)CNC(=O)C(F)(F)F

InChI

InChI=1S/C5H9F3N2O/c6-5(7,8)4(11)10-3-1-2-9/h1-3,9H2,(H,10,11)

InChIKey

BRIDGNCRQRZYHZ-UHFFFAOYSA-N

Compound name

N-(3-aminopropyl)-2,2,2-trifluoroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 170.0667 Da
Monoisotopic Mass: 0.1
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]+	171.07398	135.2
[M+Na]+	193.05592	140.0
[M+NH4]+	188.10052	139.5
[M+K]+	209.02986	137.0
[M-H]-	169.05942	129.9
[M+Na-2H]-	191.04137	136.1
[M]+	170.06615	133.7
[M]-	170.06725	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe