CID 25943

5-methoxybenzofuran

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

COC1=CC2=C(C=C1)OC=C2

InChI

InChI=1S/C9H8O2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-6H,1H3

InChIKey

JJXPTUWJVQUHKN-UHFFFAOYSA-N

Compound name

5-methoxy-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 820
Patents: 148.05243 Da
Monoisotopic Mass: 2.3
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]+	149.059706	124.3
[M+Na]+	171.041648	135.3
[M-H]-	147.045154	130.5
[M+NH4]+	166.086253	147.7
[M+K]+	187.015588	134.6
[M+H-H2O]+	131.049690	119.6
[M+HCOO]-	193.050631	150.7
[M+CH3COO]-	207.066281	173.6
[M+Na-2H]-	169.027096	134.6
[M]+	148.05188142	129.2
[M]-	148.05297858	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe