CID 2735225

3-(acetamidomethyl)pyridine

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CC(=O)NCC1=CN=CC=C1

InChI

InChI=1S/C8H10N2O/c1-7(11)10-6-8-3-2-4-9-5-8/h2-5H,6H2,1H3,(H,10,11)

InChIKey

KQZCRXVJXGYIFM-UHFFFAOYSA-N

Compound name

N-(pyridin-3-ylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 312
Patents: 150.07932 Da
Monoisotopic Mass: 0.0
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]+	151.08660	130.4
[M+Na]+	173.06854	137.5
[M-H]-	149.07204	132.7
[M+NH4]+	168.11314	149.9
[M+K]+	189.04248	136.0
[M+H-H2O]+	133.07658	123.7
[M+HCOO]-	195.07752	154.5
[M+CH3COO]-	209.09317	177.0
[M+Na-2H]-	171.05399	138.3
[M]+	150.07877	129.7
[M]-	150.07987	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe