CID 77317

3731-53-1

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

C1=CN=CC=C1CN

InChI

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

InChIKey

TXQWFIVRZNOPCK-UHFFFAOYSA-N

Compound name

pyridin-4-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 30
References: 10727
Patents: 108.06875 Da
Monoisotopic Mass: -0.4
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	118.8
[M+Na]+	131.05797	126.7
[M-H]-	107.06147	120.8
[M+NH4]+	126.10257	139.9
[M+K]+	147.03191	125.1
[M+H-H2O]+	91.066010	112.6
[M+HCOO]-	153.06695	143.6
[M+CH3COO]-	167.08260	169.0
[M+Na-2H]-	129.04342	128.1
[M]+	108.06820	116.4
[M]-	108.06930	116.4

Literature stripe

literature stripe

Patent stripe

patents stripe