CID 20133982

Methyl-(6-trifluoromethyl-pyrimidin-4-yl)-amine

Structural Information

Molecular Formula

C₆H₆F₃N₃

SMILES

CNC1=NC=NC(=C1)C(F)(F)F

InChI

InChI=1S/C6H6F3N3/c1-10-5-2-4(6(7,8)9)11-3-12-5/h2-3H,1H3,(H,10,11,12)

InChIKey

GHYOLTADTFMFIY-UHFFFAOYSA-N

Compound name

N-methyl-6-(trifluoromethyl)pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 177.05138 Da
Monoisotopic Mass: 1.4
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]+	178.05866	131.8
[M+Na]+	200.04060	141.3
[M-H]-	176.04410	129.3
[M+NH4]+	195.08520	149.2
[M+K]+	216.01454	138.8
[M+H-H2O]+	160.04864	122.4
[M+HCOO]-	222.04958	151.0
[M+CH3COO]-	236.06523	181.5
[M+Na-2H]-	198.02605	140.2
[M]+	177.05083	127.2
[M]-	177.05193	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe