CID 28910029

16564-18-4

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

CC1=CC2=C(C=C1)C=C(O2)C(=O)C

InChI

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

InChIKey

ZPLPPHUAGUDZJM-UHFFFAOYSA-N

Compound name

1-(6-methyl-1-benzofuran-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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	133.1
[M+Na]+	197.05730	147.5
[M+NH4]+	192.10190	142.5
[M+K]+	213.03124	143.0
[M-H]-	173.06080	136.9
[M+Na-2H]-	195.04275	139.7
[M]+	174.06753	136.3
[M]-	174.06863	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe