CID 13011399

Bv1g5bfa7z

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CC1=C(C(=O)C=CN1C)OC

InChI

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

InChIKey

RUHDPEYOMXHWPM-UHFFFAOYSA-N

Compound name

3-methoxy-1,2-dimethylpyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 153.07898 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]+	154.08626	127.1
[M+Na]+	176.06820	138.1
[M-H]-	152.07170	130.6
[M+NH4]+	171.11280	147.9
[M+K]+	192.04214	136.9
[M+H-H2O]+	136.07624	121.4
[M+HCOO]-	198.07718	151.5
[M+CH3COO]-	212.09283	177.6
[M+Na-2H]-	174.05365	134.0
[M]+	153.07843	130.7
[M]-	153.07953	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe