CID 11159394

13524-78-2

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

CC1(COC2=CC=CC=C21)C

InChI

InChI=1S/C10H12O/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-6H,7H2,1-2H3

InChIKey

BEIGEFOVGRASOO-UHFFFAOYSA-N

Compound name

3,3-dimethyl-2H-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 349
Patents: 148.08882 Da
Monoisotopic Mass: 2.8
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]+	149.09610	128.3
[M+Na]+	171.07804	137.8
[M-H]-	147.08154	134.1
[M+NH4]+	166.12264	153.6
[M+K]+	187.05198	136.8
[M+H-H2O]+	131.08608	124.1
[M+HCOO]-	193.08702	151.3
[M+CH3COO]-	207.10267	143.7
[M+Na-2H]-	169.06349	137.1
[M]+	148.08827	129.5
[M]-	148.08937	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe