CID 10953453

34697-37-5

Structural Information

Molecular Formula

SMILES

CC1CC(=O)C=CN1

InChI

InChI=1S/C6H9NO/c1-5-4-6(8)2-3-7-5/h2-3,5,7H,4H2,1H3

InChIKey

YDYIQSNDNIDHTG-UHFFFAOYSA-N

Compound name

2-methyl-2,3-dihydro-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 111.06841 Da
Monoisotopic Mass: 0.4
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]+	112.07569	120.6
[M+Na]+	134.05763	128.1
[M-H]-	110.06113	121.5
[M+NH4]+	129.10223	141.5
[M+K]+	150.03157	126.4
[M+H-H2O]+	94.065670	115.2
[M+HCOO]-	156.06661	140.9
[M+CH3COO]-	170.08226	165.1
[M+Na-2H]-	132.04308	127.3
[M]+	111.06786	116.3
[M]-	111.06896	116.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe