CID 58367429

1-(2,2,2-trifluoroethyl)-1h-imidazol-4-amine hydrochloride

Structural Information

Molecular Formula

C₅H₆F₃N₃

SMILES

C1=C(N=CN1CC(F)(F)F)N

InChI

InChI=1S/C5H6F3N3/c6-5(7,8)2-11-1-4(9)10-3-11/h1,3H,2,9H2

InChIKey

YGTJGXAKDLLYQV-UHFFFAOYSA-N

Compound name

1-(2,2,2-trifluoroethyl)imidazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 165.05138 Da
Monoisotopic Mass: 0.7
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]+	166.05866	132.7
[M+Na]+	188.04060	139.9
[M+NH4]+	183.08520	137.7
[M+K]+	204.01454	137.8
[M-H]-	164.04410	128.3
[M+Na-2H]-	186.02605	135.9
[M]+	165.05083	131.9
[M]-	165.05193	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe