CID 12433292

66416-76-0

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

COC(=O)CC1C2=CC=CC=C2CO1

InChI

InChI=1S/C11H12O3/c1-13-11(12)6-10-9-5-3-2-4-8(9)7-14-10/h2-5,10H,6-7H2,1H3

InChIKey

QFFFOVARSPNZEB-UHFFFAOYSA-N

Compound name

methyl 2-(1,3-dihydro-2-benzofuran-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 192.07864 Da
Monoisotopic Mass: 1.0
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]+	193.08592	139.6
[M+Na]+	215.06786	147.5
[M-H]-	191.07136	144.8
[M+NH4]+	210.11246	160.8
[M+K]+	231.04180	147.1
[M+H-H2O]+	175.07590	134.4
[M+HCOO]-	237.07684	161.7
[M+CH3COO]-	251.09249	181.6
[M+Na-2H]-	213.05331	145.5
[M]+	192.07809	142.2
[M]-	192.07919	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe