CID 4720010

120739-68-6

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

COCCNCC1=CN=CC=C1

InChI

InChI=1S/C9H14N2O/c1-12-6-5-11-8-9-3-2-4-10-7-9/h2-4,7,11H,5-6,8H2,1H3

InChIKey

SFOQTGDGRQEINN-UHFFFAOYSA-N

Compound name

2-methoxy-N-(pyridin-3-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 166.11061 Da
Monoisotopic Mass: 0.2
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]+	167.11789	135.9
[M+Na]+	189.09983	147.9
[M+NH4]+	184.14443	144.2
[M+K]+	205.07377	140.9
[M-H]-	165.10333	138.1
[M+Na-2H]-	187.08528	143.4
[M]+	166.11006	138.1
[M]-	166.11116	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe