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: 14
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	128.2
[M+Na]+	188.04060	137.5
[M-H]-	164.04410	124.0
[M+NH4]+	183.08520	146.9
[M+K]+	204.01454	134.5
[M+H-H2O]+	148.04864	119.5
[M+HCOO]-	210.04958	146.4
[M+CH3COO]-	224.06523	175.3
[M+Na-2H]-	186.02605	133.3
[M]+	165.05083	121.0
[M]-	165.05193	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe