CID 88393

20173-04-0

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

1
Annotation Hits: 5
References: 2005
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]+	123.09168	123.6
[M+Na]+	145.07362	136.5
[M+NH4]+	140.11822	132.8
[M+K]+	161.04756	129.4
[M-H]-	121.07712	126.5
[M+Na-2H]-	143.05907	132.2
[M]+	122.08385	126.1
[M]-	122.08495	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe