CID 123378

N,n-dimethylpyridin-3-amine

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

CN(C)C1=CN=CC=C1

InChI

InChI=1S/C7H10N2/c1-9(2)7-4-3-5-8-6-7/h3-6H,1-2H3

InChIKey

JEDHEXUPBRMUMB-UHFFFAOYSA-N

Compound name

N,N-dimethylpyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1203
Patents: 122.0844 Da
Monoisotopic Mass: 1.4
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	122.8
[M+Na]+	145.073618	130.4
[M-H]-	121.077124	126.7
[M+NH4]+	140.118223	144.3
[M+K]+	161.047558	130.4
[M+H-H2O]+	105.081660	116.2
[M+HCOO]-	167.082601	148.4
[M+CH3COO]-	181.098251	176.3
[M+Na-2H]-	143.059066	131.9
[M]+	122.08385142	123.1
[M]-	122.08494858	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe