CID 3704748

68729-57-7

Structural Information

Molecular Formula

C₈H₁₀F₃N₃

SMILES

CCNC1=NC(=CC(=N1)C(F)(F)F)C

InChI

InChI=1S/C8H10F3N3/c1-3-12-7-13-5(2)4-6(14-7)8(9,10)11/h4H,3H2,1-2H3,(H,12,13,14)

InChIKey

JCTGMGHMTCSAET-UHFFFAOYSA-N

Compound name

N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.08269 Da
Monoisotopic Mass: 2.2
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]+	206.089966	141.3
[M+Na]+	228.071908	150.9
[M-H]-	204.075414	138.9
[M+NH4]+	223.116513	157.9
[M+K]+	244.045848	147.9
[M+H-H2O]+	188.079950	131.7
[M+HCOO]-	250.080891	159.8
[M+CH3COO]-	264.096541	188.7
[M+Na-2H]-	226.057356	147.8
[M]+	205.08214142	137.8
[M]-	205.08323858	137.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.