CID 19509

3731-51-9

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

C1=CC=NC(=C1)CN

InChI

InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2

InChIKey

WOXFMYVTSLAQMO-UHFFFAOYSA-N

Compound name

pyridin-2-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 99
References: 22973
Patents: 108.06875 Da
Monoisotopic Mass: -0.2
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]+	109.07603	119.0
[M+Na]+	131.05797	131.8
[M+NH4]+	126.10257	128.3
[M+K]+	147.03191	125.3
[M-H]-	107.06147	121.8
[M+Na-2H]-	129.04342	127.5
[M]+	108.06820	121.5
[M]-	108.06930	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe