CID 2839332

85258-19-1

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

CC1CC2=CC(=C(C=C2O1)C=O)OC

InChI

InChI=1S/C11H12O3/c1-7-3-8-4-10(13-2)9(6-12)5-11(8)14-7/h4-7H,3H2,1-2H3

InChIKey

WGJIDYXHUPHEFP-UHFFFAOYSA-N

Compound name

5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 192.07864 Da
Monoisotopic Mass: 1.8
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]+	193.085916	137.8
[M+Na]+	215.067858	147.8
[M-H]-	191.071364	143.7
[M+NH4]+	210.112463	159.6
[M+K]+	231.041798	146.9
[M+H-H2O]+	175.075900	133.1
[M+HCOO]-	237.076841	160.9
[M+CH3COO]-	251.092491	183.7
[M+Na-2H]-	213.053306	143.8
[M]+	192.07809142	142.0
[M]-	192.07918858	142.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.