CID 58854045

929022-00-4

Structural Information

Molecular Formula

C₁₀H₁₃F₃N₂

SMILES

CC(C)(CN)C1=NC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C10H13F3N2/c1-9(2,6-14)7-4-3-5-8(15-7)10(11,12)13/h3-5H,6,14H2,1-2H3

InChIKey

RIPVEYQHCYGSTI-UHFFFAOYSA-N

Compound name

2-methyl-2-[6-(trifluoromethyl)pyridin-2-yl]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 218.10309 Da
Monoisotopic Mass: 2.0
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]+	219.11037	146.1
[M+Na]+	241.09231	154.3
[M-H]-	217.09581	144.3
[M+NH4]+	236.13691	163.1
[M+K]+	257.06625	151.1
[M+H-H2O]+	201.10035	137.5
[M+HCOO]-	263.10129	163.0
[M+CH3COO]-	277.11694	190.7
[M+Na-2H]-	239.07776	151.9
[M]+	218.10254	140.8
[M]-	218.10364	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe