CID 2786702

21642-98-8

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

COC1=C(C(=O)NC=C1)C#N

InChI

InChI=1S/C7H6N2O2/c1-11-6-2-3-9-7(10)5(6)4-8/h2-3H,1H3,(H,9,10)

InChIKey

MWGIDWPSRDMIQN-UHFFFAOYSA-N

Compound name

4-methoxy-2-oxo-1H-pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 300
Patents: 150.04292 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]+	151.05020	127.4
[M+Na]+	173.03214	138.8
[M-H]-	149.03564	128.7
[M+NH4]+	168.07674	144.9
[M+K]+	189.00608	136.2
[M+H-H2O]+	133.04018	115.0
[M+HCOO]-	195.04112	146.8
[M+CH3COO]-	209.05677	185.2
[M+Na-2H]-	171.01759	134.2
[M]+	150.04237	122.9
[M]-	150.04347	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe