CID 776826

113248-64-9

Structural Information

Molecular Formula

C₁₃H₁₃FN₂

SMILES

C1=CC(=CN=C1)CNCC2=CC=C(C=C2)F

InChI

InChI=1S/C13H13FN2/c14-13-5-3-11(4-6-13)8-16-10-12-2-1-7-15-9-12/h1-7,9,16H,8,10H2

InChIKey

FALPYPALLCTAIS-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
Patents: 216.10628 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]+	217.11356	147.8
[M+Na]+	239.09550	161.8
[M+NH4]+	234.14010	156.5
[M+K]+	255.06944	153.2
[M-H]-	215.09900	151.8
[M+Na-2H]-	237.08095	158.0
[M]+	216.10573	151.0
[M]-	216.10683	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe