CID 101130

2,3-dihydro-2-methylbenzofuran

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

CC1CC2=CC=CC=C2O1

InChI

InChI=1S/C9H10O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7H,6H2,1H3

InChIKey

BWCJVGMZEQDOMY-UHFFFAOYSA-N

Compound name

2-methyl-2,3-dihydro-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 814
Patents: 134.07317 Da
Monoisotopic Mass: 2.4
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]+	135.080446	124.0
[M+Na]+	157.062388	132.9
[M-H]-	133.065894	129.5
[M+NH4]+	152.106993	147.8
[M+K]+	173.036328	132.1
[M+H-H2O]+	117.070430	119.4
[M+HCOO]-	179.071371	147.2
[M+CH3COO]-	193.087021	139.3
[M+Na-2H]-	155.047836	132.3
[M]+	134.07262142	124.5
[M]-	134.07371858	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe