CID 139434

13337-79-6

Structural Information

Molecular Formula

SMILES

CCN1C=CC=CC1=O

InChI

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

InChIKey

MTSQHZHIEDRSOM-UHFFFAOYSA-N

Compound name

1-ethylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 301
Patents: 123.06841 Da
Monoisotopic Mass: 0.8
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	122.0
[M+Na]+	146.05763	136.2
[M+NH4]+	141.10223	131.0
[M+K]+	162.03157	129.4
[M-H]-	122.06113	124.0
[M+Na-2H]-	144.04308	130.2
[M]+	123.06786	124.6
[M]-	123.06896	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe