CID 88393

3-(methylaminomethyl)pyridine

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

CNCC1=CN=CC=C1

InChI

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

InChIKey

MCSAQVGDZLPTBS-UHFFFAOYSA-N

Compound name

N-methyl-1-pyridin-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 2046
Patents: 122.0844 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]+	123.091676	123.0
[M+Na]+	145.073618	130.4
[M-H]-	121.077124	125.3
[M+NH4]+	140.118223	143.7
[M+K]+	161.047558	128.9
[M+H-H2O]+	105.081660	116.5
[M+HCOO]-	167.082601	148.0
[M+CH3COO]-	181.098251	172.7
[M+Na-2H]-	143.059066	132.8
[M]+	122.08385142	121.9
[M]-	122.08494858	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe