CID 28063657

2-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethanamine hydrochloride

Structural Information

Molecular Formula

C₈H₁₀F₃N₃

SMILES

CC1=CC(=NC(=N1)CCN)C(F)(F)F

InChI

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

InChIKey

VASVEIQEERCESN-UHFFFAOYSA-N

Compound name

2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.08269 Da
Monoisotopic Mass: 0.9
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	141.8
[M+Na]+	228.071908	151.4
[M-H]-	204.075414	138.8
[M+NH4]+	223.116513	158.1
[M+K]+	244.045848	148.0
[M+H-H2O]+	188.079950	132.2
[M+HCOO]-	250.080891	159.6
[M+CH3COO]-	264.096541	188.1
[M+Na-2H]-	226.057356	147.2
[M]+	205.08214142	137.2
[M]-	205.08323858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.