CID 4723804

51639-58-8

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CCNCC1=CC=CC=N1

InChI

InChI=1S/C8H12N2/c1-2-9-7-8-5-3-4-6-10-8/h3-6,9H,2,7H2,1H3

InChIKey

BQSUUGOCTJVJIF-UHFFFAOYSA-N

Compound name

N-(pyridin-2-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 331
Patents: 136.10005 Da
Monoisotopic Mass: 0.7
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]+	137.10733	127.6
[M+Na]+	159.08927	134.6
[M-H]-	135.09277	129.7
[M+NH4]+	154.13387	147.8
[M+K]+	175.06321	132.8
[M+H-H2O]+	119.09731	120.9
[M+HCOO]-	181.09825	152.2
[M+CH3COO]-	195.11390	175.8
[M+Na-2H]-	157.07472	136.8
[M]+	136.09950	126.9
[M]-	136.10060	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe