CID 120054

28799-82-8

Structural Information

Molecular Formula

C₉H₁₀N₂O₃

SMILES

CC1=CC(=O)N(C(=C1C#N)O)CCO

InChI

InChI=1S/C9H10N2O3/c1-6-4-8(13)11(2-3-12)9(14)7(6)5-10/h4,12,14H,2-3H2,1H3

InChIKey

YPVUBDAGJFYZIR-UHFFFAOYSA-N

Compound name

2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 91
Patents: 194.06914 Da
Monoisotopic Mass: -0.5
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]+	195.076416	138.5
[M+Na]+	217.058358	150.1
[M-H]-	193.061864	139.0
[M+NH4]+	212.102963	154.2
[M+K]+	233.032298	147.3
[M+H-H2O]+	177.066400	126.3
[M+HCOO]-	239.067341	156.1
[M+CH3COO]-	253.082991	192.5
[M+Na-2H]-	215.043806	142.6
[M]+	194.06859142	134.9
[M]-	194.06968858	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe