CID 138040806

1638434-67-9

Structural Information

Molecular Formula

C₆H₁₀F₃N₃

SMILES

C1CN(C(=N1)C(F)(F)F)CCN

InChI

InChI=1S/C6H10F3N3/c7-6(8,9)5-11-2-4-12(5)3-1-10/h1-4,10H2

InChIKey

QZCKONJRWOJSQI-UHFFFAOYSA-N

Compound name

2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.08269 Da
Monoisotopic Mass: -0.4
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]+	182.089966	134.4
[M+Na]+	204.071908	142.6
[M-H]-	180.075414	131.0
[M+NH4]+	199.116513	153.1
[M+K]+	220.045848	140.5
[M+H-H2O]+	164.079950	125.1
[M+HCOO]-	226.080891	152.2
[M+CH3COO]-	240.096541	181.3
[M+Na-2H]-	202.057356	138.4
[M]+	181.08214142	128.0
[M]-	181.08323858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.