CID 43649187

1803566-29-1

Structural Information

Molecular Formula

C₅H₆F₃N₃

SMILES

C1=C(NC(=N1)CN)C(F)(F)F

InChI

InChI=1S/C5H6F3N3/c6-5(7,8)3-2-10-4(1-9)11-3/h2H,1,9H2,(H,10,11)

InChIKey

KWQCRYJWRRUUOC-UHFFFAOYSA-N

Compound name

[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 165.05138 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]+	166.05866	132.3
[M+Na]+	188.04060	139.0
[M+NH4]+	183.08520	136.9
[M+K]+	204.01454	137.3
[M-H]-	164.04410	127.4
[M+Na-2H]-	186.02605	135.0
[M]+	165.05083	131.3
[M]-	165.05193	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe