CID 71250575

2337333-95-4

Structural Information

Molecular Formula

C₁₀H₁₁F₃N₂

SMILES

C1CNCC1C2=NC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C10H11F3N2/c11-10(12,13)9-3-1-2-8(15-9)7-4-5-14-6-7/h1-3,7,14H,4-6H2

InChIKey

VSBVFFHHDIMQNG-UHFFFAOYSA-N

Compound name

2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 216.08743 Da
Monoisotopic Mass: 1.6
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]+	217.09471	144.1
[M+Na]+	239.07665	151.4
[M-H]-	215.08015	142.5
[M+NH4]+	234.12125	160.8
[M+K]+	255.05059	147.1
[M+H-H2O]+	199.08469	134.1
[M+HCOO]-	261.08563	158.7
[M+CH3COO]-	275.10128	182.4
[M+Na-2H]-	237.06210	147.3
[M]+	216.08688	135.2
[M]-	216.08798	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe