CID 470394

1-methylxanthen-9-one

Structural Information

Molecular Formula

C₁₄H₁₀O₂

SMILES

CC1=C2C(=CC=C1)OC3=CC=CC=C3C2=O

InChI

InChI=1S/C14H10O2/c1-9-5-4-8-12-13(9)14(15)10-6-2-3-7-11(10)16-12/h2-8H,1H3

InChIKey

XVEDWGDCDJUXSW-UHFFFAOYSA-N

Compound name

1-methylxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 98
Patents: 210.06808 Da
Monoisotopic Mass: 3.3
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]+	211.07536	140.0
[M+Na]+	233.05730	152.3
[M-H]-	209.06080	147.5
[M+NH4]+	228.10190	160.3
[M+K]+	249.03124	149.2
[M+H-H2O]+	193.06534	133.5
[M+HCOO]-	255.06628	163.7
[M+CH3COO]-	269.08193	155.2
[M+Na-2H]-	231.04275	151.5
[M]+	210.06753	144.5
[M]-	210.06863	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe