CID 40067

1-(2h-chromen-3-yl)ethanone

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

CC(=O)C1=CC2=CC=CC=C2OC1

InChI

InChI=1S/C11H10O2/c1-8(12)10-6-9-4-2-3-5-11(9)13-7-10/h2-6H,7H2,1H3

InChIKey

SPWAIRGUACCVAD-UHFFFAOYSA-N

Compound name

1-(2H-chromen-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 174.06808 Da
Monoisotopic Mass: 1.7
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]+	175.07536	134.2
[M+Na]+	197.05730	148.5
[M+NH4]+	192.10190	143.9
[M+K]+	213.03124	141.8
[M-H]-	173.06080	138.6
[M+Na-2H]-	195.04275	141.2
[M]+	174.06753	137.6
[M]-	174.06863	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe