CID 55265285

916211-41-1

Structural Information

Molecular Formula

C₇H₇F₃N₂

SMILES

C1=CN=C(C=C1CN)C(F)(F)F

InChI

InChI=1S/C7H7F3N2/c8-7(9,10)6-3-5(4-11)1-2-12-6/h1-3H,4,11H2

InChIKey

LETQLOMLPJORPB-UHFFFAOYSA-N

Compound name

[2-(trifluoromethyl)pyridin-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 109
Patents: 176.05614 Da
Monoisotopic Mass: 0.6
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]+	177.06342	131.9
[M+Na]+	199.04536	141.0
[M-H]-	175.04886	130.2
[M+NH4]+	194.08996	150.4
[M+K]+	215.01930	138.0
[M+H-H2O]+	159.05340	123.3
[M+HCOO]-	221.05434	151.4
[M+CH3COO]-	235.06999	181.1
[M+Na-2H]-	197.03081	138.6
[M]+	176.05559	126.1
[M]-	176.05669	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe