CID 12354337

3-ethylpyridin-2-ol

Structural Information

Molecular Formula

SMILES

CCC1=CC=CNC1=O

InChI

InChI=1S/C7H9NO/c1-2-6-4-3-5-8-7(6)9/h3-5H,2H2,1H3,(H,8,9)

InChIKey

KWFQLEGOEWMCCK-UHFFFAOYSA-N

Compound name

3-ethyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 202
Patents: 123.06841 Da
Monoisotopic Mass: 1.0
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]+	124.07569	121.6
[M+Na]+	146.05763	130.7
[M-H]-	122.06113	123.0
[M+NH4]+	141.10223	142.2
[M+K]+	162.03157	128.2
[M+H-H2O]+	106.06567	116.0
[M+HCOO]-	168.06661	144.5
[M+CH3COO]-	182.08226	167.5
[M+Na-2H]-	144.04308	129.8
[M]+	123.06786	120.5
[M]-	123.06896	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe