CID 86320

115864-73-8

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CCC1=C(C(=O)C=CN1C)O

InChI

InChI=1S/C8H11NO2/c1-3-6-8(11)7(10)4-5-9(6)2/h4-5,11H,3H2,1-2H3

InChIKey

YHUAHVPZGNXPMS-UHFFFAOYSA-N

Compound name

2-ethyl-3-hydroxy-1-methylpyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 93
Patents: 153.07898 Da
Monoisotopic Mass: 0.9
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]+	154.086256	128.3
[M+Na]+	176.068198	138.8
[M-H]-	152.071704	130.3
[M+NH4]+	171.112803	148.3
[M+K]+	192.042138	136.7
[M+H-H2O]+	136.076240	122.8
[M+HCOO]-	198.077181	151.1
[M+CH3COO]-	212.092831	175.0
[M+Na-2H]-	174.053646	134.6
[M]+	153.07843142	129.9
[M]-	153.07952858	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe