CID 81436

6971-44-4

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

CNCC1=CC=NC=C1

InChI

InChI=1S/C7H10N2/c1-8-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3

InChIKey

DNBWGFKLIBQQSL-UHFFFAOYSA-N

Compound name

N-methyl-1-pyridin-4-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 980
Patents: 122.0844 Da
Monoisotopic Mass: 0.3
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]+	123.09168	123.0
[M+Na]+	145.07362	130.4
[M-H]-	121.07712	125.3
[M+NH4]+	140.11822	143.7
[M+K]+	161.04756	128.9
[M+H-H2O]+	105.08166	116.5
[M+HCOO]-	167.08260	148.0
[M+CH3COO]-	181.09825	172.7
[M+Na-2H]-	143.05907	132.8
[M]+	122.08385	121.9
[M]-	122.08495	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe