CID 22113222

N-(5-formylpyridin-2-yl)acetamide

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

CC(=O)NC1=NC=C(C=C1)C=O

InChI

InChI=1S/C8H8N2O2/c1-6(12)10-8-3-2-7(5-11)4-9-8/h2-5H,1H3,(H,9,10,12)

InChIKey

VVDNQGICIUVXTD-UHFFFAOYSA-N

Compound name

N-(5-formylpyridin-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 164.05858 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]+	165.06586	133.1
[M+Na]+	187.04780	144.9
[M+NH4]+	182.09240	140.3
[M+K]+	203.02174	139.6
[M-H]-	163.05130	134.2
[M+Na-2H]-	185.03325	139.6
[M]+	164.05803	134.8
[M]-	164.05913	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe