CID 417190

103206-23-1

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

CC1=CC(=O)C=C(N1C2=CC=CC=C2)C

InChI

InChI=1S/C13H13NO/c1-10-8-13(15)9-11(2)14(10)12-6-4-3-5-7-12/h3-9H,1-2H3

InChIKey

AMZZHJBEJRMVPS-UHFFFAOYSA-N

Compound name

2,6-dimethyl-1-phenylpyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 199.09972 Da
Monoisotopic Mass: 2.6
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]+	200.10700	141.2
[M+Na]+	222.08894	151.5
[M-H]-	198.09244	147.5
[M+NH4]+	217.13354	159.6
[M+K]+	238.06288	147.6
[M+H-H2O]+	182.09698	133.8
[M+HCOO]-	244.09792	165.1
[M+CH3COO]-	258.11357	186.3
[M+Na-2H]-	220.07439	147.8
[M]+	199.09917	142.4
[M]-	199.10027	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe