CID 54720942

67643-17-8

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

CC1=CC(=C(C(=O)N1)C#N)O

InChI

InChI=1S/C7H6N2O2/c1-4-2-6(10)5(3-8)7(11)9-4/h2H,1H3,(H2,9,10,11)

InChIKey

WMPRWVSFHGPPNE-UHFFFAOYSA-N

Compound name

4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 177
Patents: 150.04292 Da
Monoisotopic Mass: 0.4
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	128.9
[M+Na]+	173.03214	140.7
[M-H]-	149.03564	129.4
[M+NH4]+	168.07674	146.1
[M+K]+	189.00608	137.5
[M+H-H2O]+	133.04018	117.1
[M+HCOO]-	195.04112	147.0
[M+CH3COO]-	209.05677	184.0
[M+Na-2H]-	171.01759	134.5
[M]+	150.04237	123.0
[M]-	150.04347	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe