CID 2762918

22280-02-0

Structural Information

Molecular Formula

SMILES

CC1=CNC=CC1=O

InChI

InChI=1S/C6H7NO/c1-5-4-7-3-2-6(5)8/h2-4H,1H3,(H,7,8)

InChIKey

RZUBLMCZJPIOPF-UHFFFAOYSA-N

Compound name

3-methyl-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 109.052765 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]+	110.06004	118.1
[M+Na]+	132.04198	131.9
[M+NH4]+	127.08659	126.8
[M+K]+	148.01592	125.6
[M-H]-	108.04549	119.6
[M+Na-2H]-	130.02743	125.9
[M]+	109.05222	120.4
[M]-	109.05331	120.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe