CID 2507689

23911-56-0

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

CC1=C(OC2=CC=CC=C12)C(=O)C

InChI

InChI=1S/C11H10O2/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6H,1-2H3

InChIKey

MTNZPWYMBRSDTL-UHFFFAOYSA-N

Compound name

1-(3-methyl-1-benzofuran-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1332
Patents: 174.06808 Da
Monoisotopic Mass: 2.7
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	133.0
[M+Na]+	197.05730	144.0
[M-H]-	173.06080	139.4
[M+NH4]+	192.10190	155.5
[M+K]+	213.03124	142.7
[M+H-H2O]+	157.06534	128.3
[M+HCOO]-	219.06628	157.8
[M+CH3COO]-	233.08193	180.8
[M+Na-2H]-	195.04275	140.2
[M]+	174.06753	137.6
[M]-	174.06863	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe