CID 12023819

130747-60-3

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

COC1=C(C=CC(=O)N1)C#N

InChI

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

InChIKey

FBTBUFBHIVYSKS-UHFFFAOYSA-N

Compound name

2-methoxy-6-oxo-1H-pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	129.6
[M+Na]+	173.03214	142.0
[M+NH4]+	168.07674	133.6
[M+K]+	189.00608	133.5
[M-H]-	149.03564	123.0
[M+Na-2H]-	171.01759	133.4
[M]+	150.04237	128.5
[M]-	150.04347	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe