CID 6324715

62885-38-5

Structural Information

Molecular Formula

SMILES

CC1=CC(=O)C(=CN1)OC

InChI

InChI=1S/C7H9NO2/c1-5-3-6(9)7(10-2)4-8-5/h3-4H,1-2H3,(H,8,9)

InChIKey

YWTABUOSSFWBME-UHFFFAOYSA-N

Compound name

5-methoxy-2-methyl-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 139.06332 Da
Monoisotopic Mass: 0.7
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]+	140.070596	124.2
[M+Na]+	162.052538	134.3
[M-H]-	138.056044	126.0
[M+NH4]+	157.097143	144.5
[M+K]+	178.026478	132.3
[M+H-H2O]+	122.060580	118.7
[M+HCOO]-	184.061521	147.4
[M+CH3COO]-	198.077171	170.7
[M+Na-2H]-	160.037986	131.7
[M]+	139.06277142	125.1
[M]-	139.06386858	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe