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]+	178.058656	131.8
[M+Na]+	200.040598	141.3
[M-H]-	176.044104	129.3
[M+NH4]+	195.085203	149.2
[M+K]+	216.014538	138.8
[M+H-H2O]+	160.048640	122.4
[M+HCOO]-	222.049581	151.0
[M+CH3COO]-	236.065231	181.5
[M+Na-2H]-	198.026046	140.2
[M]+	177.05083142	127.2
[M]-	177.05192858	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe